 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer07_B3LYPDBJ-augccpVDZr.in
 Output=26_junionone_conformer07_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/26_junionone/Gau-61730.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/26_junionone/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     61748.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                26-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=26_junionone_conformer07_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sun Sep 26 19:47:34 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer07_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.753212000000      0.261201000000      1.693960000000
  C                                                -1.991275000000      0.379275000000      0.192703000000
  C                                                -0.849009000000     -0.284062000000     -0.673672000000
  C                                                 0.523957000000     -0.362760000000     -0.129190000000
  C                                                 1.600074000000      0.202273000000     -0.683932000000
  C                                                 2.971335000000      0.145334000000     -0.139740000000
  O                                                 3.879212000000      0.705568000000     -0.725256000000
  C                                                -2.328795000000      1.809261000000     -0.188051000000
  C                                                -2.945679000000     -0.733150000000     -0.326549000000
  C                                                -1.715204000000     -1.570236000000     -0.737989000000
  C                                                 3.228267000000     -0.612295000000      1.146957000000
  H                                                -3.520012000000     -0.399442000000     -1.191692000000
  H                                                -3.631250000000     -1.169043000000      0.400509000000
  H                                                -0.830366000000      0.203561000000     -1.650261000000
  H                                                -1.427501000000     -2.287210000000      0.031723000000
  H                                                -1.746461000000     -2.086631000000     -1.696096000000
  H                                                -1.522157000000     -0.762423000000      1.994493000000
  H                                                -2.649402000000      0.568790000000      2.237355000000
  H                                                -0.929068000000      0.901723000000      2.015625000000
  H                                                -2.519952000000      1.897738000000     -1.259237000000
  H                                                -1.507307000000      2.484467000000      0.065367000000
  H                                                -3.220245000000      2.153813000000      0.342854000000
  H                                                 0.639748000000     -0.919587000000      0.795696000000
  H                                                 1.514703000000      0.761846000000     -1.609834000000
  H                                                 2.945548000000     -1.661881000000      1.042967000000
  H                                                 2.641207000000     -0.194560000000      1.967518000000
  H                                                 4.286065000000     -0.544744000000      1.388076000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Sun Sep 26 19:47:34 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.753212    0.261201    1.693960
      2          6           0       -1.991275    0.379275    0.192703
      3          6           0       -0.849009   -0.284062   -0.673672
      4          6           0        0.523957   -0.362760   -0.129190
      5          6           0        1.600074    0.202273   -0.683932
      6          6           0        2.971335    0.145334   -0.139740
      7          8           0        3.879212    0.705568   -0.725256
      8          6           0       -2.328795    1.809261   -0.188051
      9          6           0       -2.945679   -0.733150   -0.326549
     10          6           0       -1.715204   -1.570236   -0.737989
     11          6           0        3.228267   -0.612295    1.146957
     12          1           0       -3.520012   -0.399442   -1.191692
     13          1           0       -3.631250   -1.169043    0.400509
     14          1           0       -0.830366    0.203561   -1.650261
     15          1           0       -1.427501   -2.287210    0.031723
     16          1           0       -1.746461   -2.086631   -1.696096
     17          1           0       -1.522157   -0.762423    1.994493
     18          1           0       -2.649402    0.568790    2.237355
     19          1           0       -0.929068    0.901723    2.015625
     20          1           0       -2.519952    1.897738   -1.259237
     21          1           0       -1.507307    2.484467    0.065367
     22          1           0       -3.220245    2.153813    0.342854
     23          1           0        0.639748   -0.919587    0.795696
     24          1           0        1.514703    0.761846   -1.609834
     25          1           0        2.945548   -1.661881    1.042967
     26          1           0        2.641207   -0.194560    1.967518
     27          1           0        4.286065   -0.544744    1.388076
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524594   0.000000
     3  C    2.592407   1.579681   0.000000
     4  C    2.983069   2.642087   1.479084   0.000000
     5  C    4.111249   3.701028   2.496925   1.336050   0.000000
     6  C    5.069243   4.979231   3.881300   2.499586   1.476396
     7  O    6.146077   5.950776   4.830953   3.571324   2.334413
     8  C    2.503947   1.517812   2.609137   3.585991   4.273678
     9  C    2.548170   1.554992   2.172142   3.494927   4.654741
    10  C    3.044665   2.177842   1.551990   2.615813   3.759758
    11  C    5.086978   5.397910   4.477344   3.000685   2.581993
    12  H    3.447466   2.204538   2.723218   4.181380   5.180267
    13  H    2.691773   2.264948   3.110936   4.265726   5.515729
    14  H    3.469695   2.185201   1.091719   2.113899   2.615498
    15  H    3.059987   2.730183   2.201099   2.745467   3.984457
    16  H    4.123693   3.115797   2.258324   3.252956   4.178858
    17  H    1.091564   2.184031   2.793038   2.975961   4.225272
    18  H    1.092266   2.156304   3.527442   4.066759   5.169748
    19  H    1.092223   2.173541   2.940206   2.882782   3.764757
    20  H    3.462299   2.166416   2.809838   3.956291   4.492237
    21  H    2.766893   2.163856   2.940117   3.502940   3.927553
    22  H    2.749482   2.163769   3.549552   4.535969   5.300780
    23  H    2.815563   2.995484   2.186168   1.085761   2.090477
    24  H    4.673860   3.960730   2.749083   2.106804   1.085221
    25  H    5.118631   5.409389   4.386787   2.987603   2.875335
    26  H    4.426451   4.993911   4.377842   2.984497   2.876043
    27  H    6.100490   6.456603   5.539652   4.060624   3.473586
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.216935   0.000000
     8  C    5.555391   6.328197   0.000000
     9  C    5.984788   6.986273   2.619844   0.000000
    10  C    5.026403   6.039614   3.478495   1.544042   0.000000
    11  C    1.515125   2.380268   6.207022   6.348499   5.376670
    12  H    6.598558   7.495807   2.702714   1.090730   2.198622
    13  H    6.753783   7.822311   3.303496   1.090240   2.264590
    14  H    4.091209   4.825740   2.638488   2.665369   2.182094
    15  H    5.029555   6.139295   4.200203   2.201891   1.090542
    16  H    5.446238   6.355085   4.217972   2.268412   1.088857
    17  H    5.056723   6.223088   3.468101   2.722959   2.855921
    18  H    6.117400   7.170675   2.743019   2.890749   3.781644
    19  H    4.520052   5.538092   2.763883   3.496471   3.782986
    20  H    5.871833   6.531134   1.091700   2.823601   3.598078
    21  H    5.056861   5.727491   1.093145   3.546205   4.138746
    22  H    6.527063   7.323972   1.093279   2.976246   4.159557
    23  H    2.728625   3.930464   4.150496   3.761579   2.884672
    24  H    2.159407   2.525183   4.229778   4.876150   4.078115
    25  H    2.159974   3.098896   6.432956   6.119205   4.990272
    26  H    2.159872   3.097405   5.776045   6.063507   5.309479
    27  H    2.130480   2.488972   7.195963   7.434619   6.448800
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.145198   0.000000
    13  H    6.922436   1.771938   0.000000
    14  H    4.996254   2.794297   3.732914   0.000000
    15  H    5.072008   3.072298   2.498562   3.064242   0.000000
    16  H    5.916463   2.499303   2.964819   2.467045   1.768425
    17  H    4.827772   3.778221   2.674771   3.833527   2.487248
    18  H    6.093515   3.667942   2.712580   4.307649   3.809802
    19  H    4.508910   4.323529   3.768084   3.733081   3.788614
    20  H    6.718040   2.506336   3.659902   2.424425   4.513736
    21  H    5.760680   3.734717   4.239291   2.933285   4.772463
    22  H    7.062665   2.993961   3.348675   3.672535   4.799314
    23  H    2.630255   4.639382   4.296490   3.066823   2.593755
    24  H    3.524835   5.183801   5.852405   2.410947   4.544009
    25  H    1.091959   6.956358   6.626456   4.999088   4.531800
    26  H    1.091999   6.926991   6.538261   5.029776   4.967985
    27  H    1.087032   8.222600   8.003057   5.997443   6.125416
                   16         17         18         19         20
    16  H    0.000000
    17  H    3.927377   0.000000
    18  H    4.831004   1.761190   0.000000
    19  H    4.834797   1.766800   1.766227   0.000000
    20  H    4.082197   4.319585   3.742862   3.774610   0.000000
    21  H    4.904578   3.776777   3.113155   2.577391   1.767562
    22  H    4.930590   3.757106   2.535211   3.100868   1.767111
    23  H    3.642116   2.477024   3.887435   2.695660   4.705717
    24  H    4.330872   4.953492   5.672557   4.374418   4.206140
    25  H    5.449571   4.655622   6.140515   4.746660   6.916843
    26  H    6.021099   4.201999   5.352201   3.735106   6.436398
    27  H    6.948446   5.843849   7.075446   5.448275   7.700380
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.766490   0.000000
    23  H    4.090331   4.954836   0.000000
    24  H    3.860863   5.307570   3.062570   0.000000
    25  H    6.162453   7.284688   2.434924   3.867703   0.000000
    26  H    5.292025   6.520047   2.429952   3.870552   1.760809
    27  H    6.669995   8.044836   3.713092   4.286617   1.778786
                   26         27
    26  H    0.000000
    27  H    1.778747   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.14D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.753212    0.261201    1.693960
      2          6           0       -1.991275    0.379275    0.192703
      3          6           0       -0.849009   -0.284062   -0.673672
      4          6           0        0.523957   -0.362760   -0.129190
      5          6           0        1.600074    0.202273   -0.683932
      6          6           0        2.971335    0.145334   -0.139740
      7          8           0        3.879212    0.705568   -0.725256
      8          6           0       -2.328795    1.809261   -0.188051
      9          6           0       -2.945679   -0.733150   -0.326549
     10          6           0       -1.715204   -1.570236   -0.737989
     11          6           0        3.228267   -0.612295    1.146957
     12          1           0       -3.520012   -0.399442   -1.191692
     13          1           0       -3.631250   -1.169043    0.400509
     14          1           0       -0.830366    0.203561   -1.650261
     15          1           0       -1.427501   -2.287210    0.031723
     16          1           0       -1.746461   -2.086631   -1.696096
     17          1           0       -1.522157   -0.762423    1.994493
     18          1           0       -2.649402    0.568790    2.237355
     19          1           0       -0.929068    0.901723    2.015625
     20          1           0       -2.519952    1.897738   -1.259237
     21          1           0       -1.507307    2.484467    0.065367
     22          1           0       -3.220245    2.153813    0.342854
     23          1           0        0.639748   -0.919587    0.795696
     24          1           0        1.514703    0.761846   -1.609834
     25          1           0        2.945548   -1.661881    1.042967
     26          1           0        2.641207   -0.194560    1.967518
     27          1           0        4.286065   -0.544744    1.388076
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.1384318           0.4996663           0.4923175
 Leave Link  202 at Sun Sep 26 19:47:34 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       608.1382990542 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0452189464 Hartrees.
 Nuclear repulsion after empirical dispersion term =      608.0930801077 Hartrees.
 Leave Link  301 at Sun Sep 26 19:47:36 2021, MaxMem=  6442450944 cpu:              10.0 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  2.58D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Sun Sep 26 19:47:36 2021, MaxMem=  6442450944 cpu:               3.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sun Sep 26 19:47:36 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer07_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sun Sep 26 19:47:37 2021, MaxMem=  6442450944 cpu:               3.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442092371 LenY=  6441916369
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.981040105538    
 DIIS: error= 1.57D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.981040105538     IErMin= 1 ErrMin= 1.57D-03
 ErrMax= 1.57D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.13D-03 BMatP= 5.13D-03
 IDIUse=3 WtCom= 9.84D-01 WtEn= 1.57D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.189 Goal=   None    Shift=    0.000
 GapD=    0.189 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.65D-02 MaxDP=6.23D+00              OVMax= 1.65D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.91D-02    CP:  1.69D+00
 E= -465.985496064846     Delta-E=       -0.004455959308 Rises=F Damp=F
 DIIS: error= 3.24D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.985496064846     IErMin= 2 ErrMin= 3.24D-04
 ErrMax= 3.24D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-04 BMatP= 5.13D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.24D-03
 Coeff-Com:  0.226D-01 0.977D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.225D-01 0.977D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=1.08D-03 MaxDP=1.80D-01 DE=-4.46D-03 OVMax= 8.24D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.55D-04    CP:  1.70D+00  1.03D+00
 E= -465.985187168556     Delta-E=        0.000308896290 Rises=F Damp=F
 DIIS: error= 6.20D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -465.985496064846     IErMin= 2 ErrMin= 3.24D-04
 ErrMax= 6.20D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.12D-04 BMatP= 1.24D-04
 IDIUse=3 WtCom= 2.87D-01 WtEn= 7.13D-01
 Coeff-Com: -0.816D-02 0.679D+00 0.329D+00
 Coeff-En:   0.000D+00 0.754D+00 0.246D+00
 Coeff:     -0.234D-02 0.732D+00 0.270D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.38D-04 MaxDP=1.11D-02 DE= 3.09D-04 OVMax= 5.09D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.08D-04    CP:  1.70D+00  1.03D+00  8.43D-01
 E= -465.985590961021     Delta-E=       -0.000403792465 Rises=F Damp=F
 DIIS: error= 7.98D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.985590961021     IErMin= 4 ErrMin= 7.98D-05
 ErrMax= 7.98D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-05 BMatP= 1.24D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.487D-02 0.243D+00 0.168D-01 0.745D+00
 Coeff:     -0.487D-02 0.243D+00 0.168D-01 0.745D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=5.97D-05 MaxDP=4.06D-03 DE=-4.04D-04 OVMax= 7.20D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.01D-05    CP:  1.70D+00  1.03D+00  8.11D-01  1.26D+00
 E= -465.985599865527     Delta-E=       -0.000008904506 Rises=F Damp=F
 DIIS: error= 1.68D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.985599865527     IErMin= 5 ErrMin= 1.68D-05
 ErrMax= 1.68D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.70D-07 BMatP= 1.07D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.109D-02 0.207D-01-0.342D-01 0.368D+00 0.646D+00
 Coeff:     -0.109D-02 0.207D-01-0.342D-01 0.368D+00 0.646D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.37D-05 MaxDP=1.75D-03 DE=-8.90D-06 OVMax= 1.30D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.02D-05    CP:  1.70D+00  1.03D+00  8.23D-01  1.26D+00  8.41D-01
 E= -465.985600324854     Delta-E=       -0.000000459327 Rises=F Damp=F
 DIIS: error= 4.35D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.985600324854     IErMin= 6 ErrMin= 4.35D-06
 ErrMax= 4.35D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.71D-08 BMatP= 4.70D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.396D-03 0.187D-02-0.187D-01 0.169D+00 0.337D+00 0.511D+00
 Coeff:     -0.396D-03 0.187D-02-0.187D-01 0.169D+00 0.337D+00 0.511D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=2.69D-06 MaxDP=2.14D-04 DE=-4.59D-07 OVMax= 6.98D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.32D-06    CP:  1.70D+00  1.03D+00  8.24D-01  1.26D+00  8.63D-01
                    CP:  9.60D-01
 E= -465.985600349490     Delta-E=       -0.000000024635 Rises=F Damp=F
 DIIS: error= 1.30D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.985600349490     IErMin= 7 ErrMin= 1.30D-06
 ErrMax= 1.30D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.52D-09 BMatP= 2.71D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.568D-04-0.144D-02-0.467D-02 0.351D-01 0.763D-01 0.259D+00
 Coeff-Com:  0.636D+00
 Coeff:     -0.568D-04-0.144D-02-0.467D-02 0.351D-01 0.763D-01 0.259D+00
 Coeff:      0.636D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.02D-06 MaxDP=9.36D-05 DE=-2.46D-08 OVMax= 3.10D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.67D-07    CP:  1.70D+00  1.03D+00  8.25D-01  1.26D+00  8.70D-01
                    CP:  9.74D-01  9.50D-01
 E= -465.985600351680     Delta-E=       -0.000000002190 Rises=F Damp=F
 DIIS: error= 6.91D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.985600351680     IErMin= 8 ErrMin= 6.91D-07
 ErrMax= 6.91D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.95D-10 BMatP= 2.52D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.386D-05-0.105D-02-0.146D-02 0.877D-02 0.214D-01 0.118D+00
 Coeff-Com:  0.391D+00 0.462D+00
 Coeff:     -0.386D-05-0.105D-02-0.146D-02 0.877D-02 0.214D-01 0.118D+00
 Coeff:      0.391D+00 0.462D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=3.24D-07 MaxDP=1.89D-05 DE=-2.19D-09 OVMax= 1.22D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.40D-07    CP:  1.70D+00  1.03D+00  8.25D-01  1.26D+00  8.68D-01
                    CP:  9.81D-01  9.39D-01  7.83D-01
 E= -465.985600352100     Delta-E=       -0.000000000420 Rises=F Damp=F
 DIIS: error= 1.52D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.985600352100     IErMin= 9 ErrMin= 1.52D-07
 ErrMax= 1.52D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.00D-11 BMatP= 4.95D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.542D-05-0.281D-03 0.376D-06-0.976D-03-0.836D-03 0.192D-01
 Coeff-Com:  0.943D-01 0.208D+00 0.680D+00
 Coeff:      0.542D-05-0.281D-03 0.376D-06-0.976D-03-0.836D-03 0.192D-01
 Coeff:      0.943D-01 0.208D+00 0.680D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.16D-07 MaxDP=1.77D-05 DE=-4.20D-10 OVMax= 1.41D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.16D-08    CP:  1.70D+00  1.03D+00  8.25D-01  1.26D+00  8.70D-01
                    CP:  9.83D-01  9.47D-01  8.20D-01  9.05D-01
 E= -465.985600352208     Delta-E=       -0.000000000107 Rises=F Damp=F
 DIIS: error= 2.88D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.985600352208     IErMin=10 ErrMin= 2.88D-08
 ErrMax= 2.88D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.74D-13 BMatP= 2.00D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.250D-05-0.794D-04 0.456D-04-0.666D-03-0.967D-03 0.383D-02
 Coeff-Com:  0.239D-01 0.693D-01 0.283D+00 0.621D+00
 Coeff:      0.250D-05-0.794D-04 0.456D-04-0.666D-03-0.967D-03 0.383D-02
 Coeff:      0.239D-01 0.693D-01 0.283D+00 0.621D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=2.14D-08 MaxDP=2.42D-06 DE=-1.07D-10 OVMax= 2.50D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.50D-08    CP:  1.70D+00  1.03D+00  8.25D-01  1.26D+00  8.70D-01
                    CP:  9.83D-01  9.50D-01  8.31D-01  9.22D-01  9.03D-01
 E= -465.985600352181     Delta-E=        0.000000000027 Rises=F Damp=F
 DIIS: error= 1.42D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -465.985600352208     IErMin=11 ErrMin= 1.42D-08
 ErrMax= 1.42D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-13 BMatP= 9.74D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.591D-06-0.764D-05 0.224D-04-0.230D-03-0.409D-03-0.210D-03
 Coeff-Com:  0.130D-02 0.111D-01 0.615D-01 0.288D+00 0.639D+00
 Coeff:      0.591D-06-0.764D-05 0.224D-04-0.230D-03-0.409D-03-0.210D-03
 Coeff:      0.130D-02 0.111D-01 0.615D-01 0.288D+00 0.639D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=6.17D-09 MaxDP=6.19D-07 DE= 2.66D-11 OVMax= 8.47D-08

 SCF Done:  E(RB3LYP) =  -465.985600352     A.U. after   11 cycles
            NFock= 11  Conv=0.62D-08     -V/T= 2.0061
 KE= 4.631426572797D+02 PE=-2.297589596783D+03 EE= 7.603682590438D+02
 Leave Link  502 at Sun Sep 26 19:50:30 2021, MaxMem=  6442450944 cpu:            1382.3 elap:             173.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.97928846D+02

 Leave Link  801 at Sun Sep 26 19:50:31 2021, MaxMem=  6442450944 cpu:               0.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 7.31D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 2.71D-01 7.51D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 5.98D-02 8.07D-02.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 7.02D-03 2.45D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 6.89D-04 6.73D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 3.51D-05 8.67D-04.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 8.04D-07 1.20D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 1.41D-08 2.04D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 2.11D-10 2.70D-06.
      9 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 2.74D-12 2.75D-07.
      3 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 3.40D-14 2.34D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.23D-14
 Solved reduced A of dimension   111 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.179637D+03
      2  0.852422D+01  0.114220D+03
      3 -0.366491D+01 -0.469657D+01  0.115202D+03
 Isotropic polarizability for W=    0.085645      136.35 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.885049D+02  0.511157D+02 -0.176094D+02
      2  -0.624661D+02 -0.366666D+02 -0.177363D+02
      3  -0.260388D+02 -0.144491D+02  0.353458D+02
      4   0.422710D+02 -0.916536D+02 -0.575039D+02
      5  -0.963665D+01 -0.600965D+02 -0.414562D+02
      6  -0.330441D+02  0.784951D+00  0.199983D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.738982D+01  0.107437D+02  0.288525D+01
      2   0.233417D+02 -0.178771D+02 -0.207917D+02
      3  -0.324891D+02  0.410030D+02  0.248483D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.259256D+01  0.185213D+02 -0.164489D+02
      2  -0.797277D+01 -0.244598D+02 -0.154173D+02
      3  -0.884469D+01  0.291875D+02  0.270524D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.283746D+01 -0.720281D+01  0.423926D+01
      2  -0.720281D+01  0.261431D+01 -0.333155D+01
      3   0.423926D+01 -0.333155D+01 -0.587038D+01
 OR G Eigenvalues:    -7.6209    -4.3749    11.5772  Iso=     0.1395
 Eigenvectors:
   (1)  -0.330766   0.073476   0.940848
   (2)   0.645140   0.745229   0.168607
   (3)   0.688759  -0.662748   0.293898
 w=    0.085645 a.u., Optical Rotation Beta=      0.1395 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =       43.47 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 1.50D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.18D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 4.49D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 2.59D-02 3.07D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 1.53D-03 6.65D-03.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 3.30D-05 6.44D-04.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 4.78D-07 5.75D-05.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 5.16D-09 5.54D-06.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 1.66D-11 4.11D-07.
      8 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 3.88D-14 1.74D-08.
      2 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 2.75D-15 5.89D-09.
      1 vectors produced by pass  9 Test12= 4.14D-14 2.78D-09 XBig12= 4.85D-16 3.04D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   221 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 6.30D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 6.30D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.60D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.179637D+03  0.852422D+01 -0.366491D+01
      2   0.852422D+01  0.114220D+03 -0.469657D+01
      3  -0.366491D+01 -0.469657D+01  0.115202D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.738982D+01  0.107437D+02  0.288525D+01
      2   0.233417D+02 -0.178771D+02 -0.207917D+02
      3  -0.324891D+02  0.410030D+02  0.248483D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.885049D+02  0.511157D+02 -0.176094D+02
      2  -0.624661D+02 -0.366666D+02 -0.177363D+02
      3  -0.260388D+02 -0.144491D+02  0.353458D+02
      4   0.422710D+02 -0.916536D+02 -0.575039D+02
      5  -0.963665D+01 -0.600965D+02 -0.414562D+02
      6  -0.330441D+02  0.784951D+00  0.199983D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.383677D+01 -0.339234D+01 -0.546107D+01 -0.420952D+01 -0.254644D+01
      2  -0.339234D+01 -0.237978D+01  0.158238D+00 -0.254644D+01  0.360210D+01
      3  -0.546107D+01  0.158238D+00  0.218057D+01  0.495897D+00 -0.357597D+01
                 6             7             8             9            10 
      1   0.495897D+00 -0.410288D+01  0.587813D+00  0.243085D+01 -0.273761D+02
      2  -0.357597D+01  0.587813D+00 -0.245446D+01 -0.148926D+01  0.548403D+01
      3  -0.105658D+01  0.243085D+01 -0.148926D+01  0.303831D+01  0.626090D+01
                11            12            13            14            15 
      1   0.548403D+01  0.626090D+01  0.892535D+01  0.411149D+00 -0.122380D+01
      2   0.204017D+01 -0.358031D-01  0.411149D+00 -0.128016D+01  0.273431D+01
      3  -0.358031D-01 -0.273714D+01 -0.122380D+01  0.273431D+01  0.201139D+01
                16            17            18            19            20 
      1   0.197539D+02 -0.116063D+01 -0.475268D+01  0.539564D+02  0.192775D+01
      2  -0.116063D+01  0.373750D+01  0.288246D+01  0.192775D+01  0.463449D+01
      3  -0.475268D+01  0.288246D+01 -0.388440D+01 -0.313632D+01  0.188178D+01
                21            22            23            24            25 
      1  -0.313632D+01 -0.368146D+01  0.790990D+01  0.450466D+01 -0.865703D+01
      2   0.188178D+01  0.790990D+01  0.185306D+01  0.690232D+00  0.335388D+01
      3   0.177507D+01  0.450466D+01  0.690232D+00 -0.425026D+01  0.293569D+01
                26            27            28            29            30 
      1   0.335388D+01  0.293569D+01 -0.669292D+02 -0.642309D+01  0.346752D+01
      2  -0.100251D+00 -0.362669D+01 -0.642309D+01 -0.386345D+01 -0.695074D+00
      3  -0.362669D+01  0.275766D+01  0.346752D+01 -0.695074D+00 -0.227875D+01
                31            32            33            34            35 
      1  -0.154290D+02 -0.662692D+01 -0.868679D+00  0.876243D+01  0.194793D+00
      2  -0.662692D+01 -0.397440D+01 -0.133691D+01  0.194793D+00 -0.180171D+00
      3  -0.868679D+00 -0.133691D+01  0.189102D+01 -0.443525D+01  0.205557D+01
                36            37            38            39            40 
      1  -0.443525D+01  0.616438D+02  0.880035D+01 -0.504822D+01  0.158681D+02
      2   0.205557D+01  0.880035D+01  0.287324D+01  0.452467D+00  0.535527D+01
      3  -0.131096D+01 -0.504822D+01  0.452467D+00  0.817585D+00  0.856506D-01
                41            42            43            44            45 
      1   0.535527D+01  0.856506D-01 -0.818007D+01  0.406413D-03  0.346246D+01
      2   0.316402D+01  0.107019D+01  0.406413D-03  0.148485D-02 -0.318921D+01
      3   0.107019D+01 -0.317043D+01  0.346246D+01 -0.318921D+01  0.134168D+01
                46            47            48            49            50 
      1  -0.444050D+02 -0.902864D+01  0.537164D+01 -0.129187D+02 -0.302857D+01
      2  -0.902864D+01 -0.120039D+01  0.180224D+01 -0.302857D+01 -0.801493D+00
      3   0.537164D+01  0.180224D+01 -0.265600D+00  0.276843D+01 -0.613000D+00
                51            52            53            54            55 
      1   0.276843D+01  0.637998D+01  0.288044D+01 -0.187704D+01  0.392623D+02
      2  -0.613000D+00  0.288044D+01 -0.153911D+00  0.195594D+01  0.740674D+01
      3   0.216928D+01 -0.187704D+01  0.195594D+01 -0.268832D+01 -0.508066D+01
                56            57            58            59            60 
      1   0.740674D+01 -0.508066D+01  0.192252D+02  0.775890D+01 -0.146242D+01
      2   0.237809D+01 -0.125412D+01  0.775890D+01  0.487430D+01 -0.178094D+01
      3  -0.125412D+01  0.197731D+01 -0.146242D+01 -0.178094D+01  0.300539D+00
                61            62            63            64            65 
      1  -0.208245D+02 -0.350365D+01  0.556751D+01  0.878866D+01 -0.529760D+01
      2  -0.350365D+01 -0.110406D+01  0.144300D+01 -0.529760D+01 -0.218971D+01
      3   0.556751D+01  0.144300D+01 -0.340049D+01 -0.322242D+01  0.563288D+00
                66            67            68            69            70 
      1  -0.322242D+01 -0.443202D+01 -0.175338D+01  0.788911D+00 -0.755111D+01
      2   0.563288D+00 -0.175338D+01  0.713050D+00 -0.242545D+01  0.112376D+01
      3   0.216228D+01  0.788911D+00 -0.242545D+01 -0.884390D+00  0.307000D+01
                71            72            73            74            75 
      1   0.112376D+01  0.307000D+01  0.724687D+00  0.117236D+01 -0.566723D+00
      2  -0.280225D+01 -0.257970D+01  0.117236D+01 -0.356897D+01 -0.339151D+01
      3  -0.257970D+01  0.613847D+01 -0.566723D+00 -0.339151D+01  0.218811D+01
                76            77            78            79            80 
      1   0.184292D+01 -0.320199D+01 -0.472625D+01 -0.152975D+01 -0.442459D+01
      2  -0.320199D+01 -0.245164D+01 -0.145630D+01 -0.442459D+01 -0.193209D+01
      3  -0.472625D+01 -0.145630D+01 -0.135109D+01  0.388822D+01 -0.716734D+00
                81            82            83            84            85 
      1   0.388822D+01 -0.100939D+02 -0.724843D+01 -0.236346D+01 -0.987107D+01
      2  -0.716734D+00 -0.724843D+01 -0.279173D+01  0.106397D+01 -0.519449D+01
      3   0.146878D+01 -0.236346D+01  0.106397D+01  0.182720D-01  0.234262D+00
                86            87            88            89            90 
      1  -0.519449D+01  0.234262D+00  0.526884D+01  0.220966D+01  0.142785D-01
      2   0.104229D+01  0.206803D+00  0.220966D+01  0.131960D+01  0.532693D+01
      3   0.206803D+00  0.364108D+01  0.142785D-01  0.532693D+01  0.232870D+01
                91            92            93            94            95 
      1  -0.977879D+01 -0.748981D+00 -0.293907D+01 -0.233902D+01  0.145148D+01
      2  -0.748981D+00  0.254290D+01 -0.412944D+00  0.145148D+01  0.442604D+01
      3  -0.293907D+01 -0.412944D+00  0.336498D+01 -0.104510D+01  0.871892D-01
                96            97            98            99           100 
      1  -0.104510D+01 -0.895592D+00 -0.917142D+00  0.324426D+01 -0.524490D+01
      2   0.871892D-01 -0.917142D+00  0.795632D+00 -0.256920D+01  0.194074D+00
      3  -0.290529D+01  0.324426D+01 -0.256920D+01  0.208583D+00 -0.267848D+01
               101           102           103           104           105 
      1   0.194074D+00 -0.267848D+01  0.165052D+01 -0.852906D+00  0.138370D+01
      2  -0.611636D+00  0.439544D+00 -0.852906D+00  0.849783D+00 -0.627486D+00
      3   0.439544D+00 -0.236973D+01  0.138370D+01 -0.627486D+00  0.134275D+01
               106           107           108           109           110 
      1  -0.435037D+01  0.826971D+00 -0.388971D+01 -0.729412D+01 -0.249413D+01
      2   0.826971D+00 -0.126194D+01  0.306741D+00 -0.249413D+01 -0.138239D+01
      3  -0.388971D+01  0.306741D+00 -0.457932D+01  0.219961D+01  0.102587D+01
               111           112           113           114           115 
      1   0.219961D+01 -0.261709D+01 -0.207654D+01  0.132337D+01  0.524521D+01
      2   0.102587D+01 -0.207654D+01 -0.184571D+01  0.961463D+00  0.211452D+01
      3  -0.179646D+01  0.132337D+01  0.961463D+00 -0.828235D+00 -0.331894D+01
               116           117           118           119           120 
      1   0.211452D+01 -0.331894D+01  0.835605D-01  0.591377D+00 -0.667008D+00
      2   0.184015D+01 -0.109625D+01  0.591377D+00 -0.235995D+00 -0.257245D+00
      3  -0.109625D+01  0.249943D+01 -0.667008D+00 -0.257245D+00 -0.318806D-01
               121           122           123           124           125 
      1   0.207858D+01 -0.579454D+00 -0.541909D-01 -0.680927D+00  0.603435D-01
      2  -0.579454D+00  0.126514D+01 -0.138565D+01  0.603435D-01 -0.178288D+01
      3  -0.541909D-01 -0.138565D+01  0.228029D+01 -0.583149D+00  0.164068D+01
               126           127           128           129           130 
      1  -0.583149D+00  0.102746D+01 -0.317588D+00  0.634521D+00  0.144974D+00
      2   0.164068D+01 -0.317588D+00  0.167072D+01 -0.526885D+00  0.690645D+00
      3  -0.603494D+01  0.634521D+00 -0.526885D+00  0.529557D+00 -0.354100D+00
               131           132           133           134           135 
      1   0.690645D+00 -0.354100D+00  0.122687D+01 -0.397523D+00  0.170382D+00
      2  -0.546446D+01  0.165828D+01 -0.397523D+00  0.350295D+01 -0.229239D+01
      3   0.165828D+01 -0.171773D+01  0.170382D+00 -0.229239D+01  0.208138D+01
               136           137           138           139           140 
      1   0.145296D+01 -0.245631D+00 -0.702189D+00  0.191013D+01 -0.450171D+00
      2  -0.245631D+00  0.235974D+00 -0.133641D+00 -0.450171D+00 -0.452994D+01
      3  -0.702189D+00 -0.133641D+00 -0.504971D-01 -0.591918D+00 -0.296873D+01
               141           142           143           144           145 
      1  -0.591918D+00 -0.252193D+01 -0.147757D+01 -0.116189D+01  0.488352D+00
      2  -0.296873D+01 -0.147757D+01 -0.501311D+01 -0.509080D+01 -0.585078D+00
      3  -0.277396D+01 -0.116189D+01 -0.509080D+01 -0.643379D+01  0.904328D+00
               146           147           148           149           150 
      1  -0.585078D+00  0.904328D+00 -0.687855D+00  0.935075D+00 -0.164521D+00
      2   0.930552D+00 -0.337361D+00  0.935075D+00 -0.549638D+01  0.248065D+01
      3  -0.337361D+00  0.354569D+00 -0.164521D+00  0.248065D+01 -0.295119D+01
               151           152           153           154           155 
      1   0.579821D+00 -0.229711D+00  0.547738D-01 -0.661164D+01  0.163882D+01
      2  -0.229711D+00  0.168274D+01 -0.144160D+01  0.163882D+01 -0.111040D+01
      3   0.547738D-01 -0.144160D+01  0.150422D+01  0.446076D+01 -0.100137D+01
               156           157           158           159           160 
      1   0.446076D+01  0.148791D+01 -0.102913D+01 -0.103641D+01  0.207328D+01
      2  -0.100137D+01 -0.102913D+01  0.747662D+00  0.145252D+01 -0.767789D+00
      3  -0.443470D+01 -0.103641D+01  0.145252D+01  0.156485D+01 -0.293992D+01
               161           162           163           164           165 
      1  -0.767789D+00 -0.293992D+01  0.361920D+01  0.176754D+01  0.172290D+01
      2   0.813047D+00  0.100600D+01  0.176754D+01  0.196158D+01  0.116978D+01
      3   0.100600D+01  0.375276D+01  0.172290D+01  0.116978D+01  0.242603D+01
               166           167           168           169           170 
      1   0.168769D+01  0.149242D+01  0.859204D+00  0.558232D+00  0.549165D+00
      2   0.149242D+01  0.218644D+01  0.183062D+01  0.549165D+00  0.990925D+00
      3   0.859204D+00  0.183062D+01  0.223445D+01  0.996673D+00  0.110026D+01
               171           172           173           174           175 
      1   0.996673D+00 -0.158761D+01  0.102644D+01 -0.879201D+00  0.529818D+00
      2   0.110026D+01  0.102644D+01 -0.200495D+00  0.282508D+00 -0.132475D+00
      3   0.184506D+01 -0.879201D+00  0.282508D+00 -0.122160D+01  0.202069D+00
               176           177           178           179           180 
      1  -0.132475D+00  0.202069D+00 -0.138455D+01  0.906282D+00 -0.218511D+01
      2   0.572839D+00 -0.896259D+00  0.906282D+00 -0.225919D+01  0.222858D+01
      3  -0.896259D+00  0.620637D+00 -0.218511D+01  0.222858D+01 -0.745984D+01
               181           182           183           184           185 
      1   0.217227D+01  0.210372D+01  0.774193D+00  0.156759D+01  0.165975D+01
      2   0.210372D+01  0.442330D+01  0.481864D+00  0.165975D+01  0.525285D+01
      3   0.774193D+00  0.481864D+00  0.826658D+00  0.296682D+00  0.801877D+00
               186           187           188           189           190 
      1   0.296682D+00  0.100808D+01  0.164267D+00  0.192769D+00 -0.805820D+01
      2   0.801877D+00  0.164267D+00  0.166067D+01  0.122551D+01  0.443291D+01
      3   0.855985D+00  0.192769D+00  0.122551D+01  0.199291D+00  0.228149D+01
               191           192           193           194           195 
      1   0.443291D+01  0.228149D+01  0.882782D+00 -0.221019D+01 -0.809525D+00
      2  -0.301999D+01 -0.998921D+00 -0.221019D+01  0.235242D+01  0.963162D+00
      3  -0.998921D+00 -0.182266D+01 -0.809525D+00  0.963162D+00  0.612593D+00
               196           197           198           199           200 
      1   0.421342D+01 -0.205911D+01 -0.225365D+01 -0.154782D+01 -0.947385D+00
      2  -0.205911D+01  0.232909D+01  0.145656D+01 -0.947385D+00 -0.513823D-01
      3  -0.225365D+01  0.145656D+01  0.133253D+01  0.115190D+01 -0.218065D+00
               201           202           203           204           205 
      1   0.115190D+01 -0.163511D+01  0.946541D+00  0.332432D+00  0.147351D+01
      2  -0.218065D+00  0.946541D+00 -0.126293D+01  0.148582D+01  0.425105D+00
      3   0.315315D+00  0.332432D+00  0.148582D+01 -0.182729D+01  0.539280D+00
               206           207           208           209           210 
      1   0.425105D+00  0.539280D+00  0.851555D+00  0.632327D+00 -0.818247D+00
      2   0.161390D+01 -0.179229D+01  0.632327D+00  0.903739D-01 -0.286131D-01
      3  -0.179229D+01  0.376838D+01 -0.818247D+00 -0.286131D-01 -0.595364D-02
               211           212           213           214           215 
      1   0.123282D+01 -0.385056D-01 -0.398266D+00 -0.158959D+01 -0.300616D+00
      2  -0.385056D-01  0.199006D+01 -0.199477D+01 -0.300616D+00 -0.209372D+01
      3  -0.398266D+00 -0.199477D+01  0.292486D+01  0.950717D-01  0.265509D+01
               216           217           218           219           220 
      1   0.950717D-01  0.104981D+01 -0.606476D+00  0.777599D-01 -0.252760D+01
      2   0.265509D+01 -0.606476D+00 -0.124458D+01  0.293514D+00  0.529654D+00
      3  -0.598109D+01  0.777599D-01  0.293514D+00 -0.955647D+00 -0.780914D+00
               221           222           223           224           225 
      1   0.529654D+00 -0.780914D+00  0.792637D+00  0.230757D+00 -0.760310D-01
      2  -0.785034D+01  0.102477D+01  0.230757D+00 -0.491502D+00 -0.574008D+00
      3   0.102477D+01 -0.159760D+01 -0.760310D-01 -0.574008D+00  0.346147D+00
               226           227           228           229           230 
      1  -0.425289D+00  0.757024D+00  0.104013D+01  0.767816D+00 -0.389000D+00
      2   0.757024D+00 -0.103638D+01 -0.153713D+00 -0.389000D+00  0.444679D+00
      3   0.104013D+01 -0.153713D+00 -0.295455D+01 -0.955448D-01  0.121737D+01
               231           232           233           234           235 
      1  -0.955448D-01  0.305575D+01 -0.440757D+00 -0.534812D+00  0.103948D+02
      2   0.121737D+01 -0.440757D+00  0.120550D+01  0.100592D+01 -0.600085D+00
      3   0.234146D+01 -0.534812D+00  0.100592D+01  0.595099D+01  0.321544D+01
               236           237           238           239           240 
      1  -0.600085D+00  0.321544D+01  0.546295D+00  0.969371D+00  0.336373D+00
      2   0.110589D+01 -0.169808D+00  0.969371D+00 -0.379285D+00  0.396199D+00
      3  -0.169808D+00  0.198887D+01  0.336373D+00  0.396199D+00  0.522883D+00
               241           242           243 
      1   0.187625D+01  0.509376D-01  0.134597D+01
      2   0.509376D-01  0.136342D+00  0.168882D+00
      3   0.134597D+01  0.168882D+00  0.121080D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.612880D+01 -0.590274D+01  0.423653D-01 -0.528918D+01  0.106796D+02
      2   0.996933D+01  0.793975D+01  0.107463D+02  0.702975D+01  0.135864D+02
      3  -0.722846D+01 -0.805715D+01 -0.165478D+01 -0.421447D+01  0.540712D+01
                 6             7             8             9            10 
      1  -0.117655D+02 -0.124705D+01 -0.444296D+01 -0.281417D+01  0.209477D+01
      2   0.106275D+01  0.132889D+01  0.263639D+01 -0.954386D+01 -0.259627D+02
      3  -0.636766D+01 -0.506864D+00 -0.475855D+01 -0.207868D+01  0.148859D+02
                11            12            13            14            15 
      1   0.260314D+01  0.161279D+01  0.156913D+01 -0.456596D+01 -0.479865D+01
      2  -0.150700D+01  0.895070D+01 -0.131201D+01 -0.103013D+02 -0.591366D+01
      3   0.509307D+01  0.435988D+01  0.161360D+02  0.265178D+01  0.711781D+01
                16            17            18            19            20 
      1   0.419220D+00  0.549861D+01  0.450557D+01 -0.308616D+01 -0.657264D+00
      2   0.127560D+02 -0.664332D+01  0.928277D+01  0.335002D+02  0.250771D+01
      3  -0.883630D+00  0.759165D+01  0.476853D+01 -0.190743D+02 -0.562016D+01
                21            22            23            24            25 
      1  -0.908582D+00  0.173610D+01 -0.132334D+01 -0.444103D+01  0.144412D-01
      2   0.114007D+01  0.168667D+01  0.644460D+01  0.762219D+01 -0.179622D+02
      3   0.147482D+00  0.294309D+01 -0.602696D+01 -0.104299D+01 -0.175182D+01
                26            27            28            29            30 
      1   0.366888D+00  0.443841D+01  0.792641D+01 -0.119485D+01 -0.862700D+00
      2   0.544526D+01 -0.223475D+00 -0.351849D+02 -0.567956D+01 -0.296480D+01
      3  -0.320197D+01 -0.359681D+01  0.153499D+02  0.670628D+01  0.687877D+00
                31            32            33            34            35 
      1  -0.621574D+01  0.366409D-01 -0.230760D+01 -0.405287D+01  0.327530D+01
      2  -0.173762D+02 -0.452546D+01 -0.974874D+00 -0.243251D+02 -0.328158D+01
      3   0.363922D+02  0.910864D+01 -0.151229D+01  0.409645D+01  0.112356D+01
                36            37            38            39            40 
      1  -0.380459D+01 -0.810057D+01  0.292189D+01  0.201238D+01  0.845841D+01
      2   0.563465D+00  0.250058D+02  0.662045D+01  0.471332D+01  0.168432D+02
      3   0.800063D+00 -0.228364D+02 -0.116139D+02 -0.847252D+00 -0.102057D+01
                41            42            43            44            45 
      1   0.748860D+00 -0.517993D+00  0.113226D+02  0.198385D+01  0.714177D+00
      2   0.618225D+01 -0.580075D+01 -0.118816D+02 -0.725888D+01  0.971678D+01
      3  -0.214242D+01 -0.417209D+01 -0.334973D+01 -0.546340D+01  0.420150D+01
                46            47            48            49            50 
      1   0.682545D+01 -0.113361D+02 -0.297229D+01 -0.387084D+01  0.855980D+01
      2  -0.679013D+01 -0.686084D+01 -0.927879D+01 -0.520097D+01 -0.166292D+01
      3   0.165931D+02  0.174373D+02  0.663733D+00  0.252755D+02  0.520722D+01
                51            52            53            54            55 
      1  -0.123509D+02 -0.102039D+01  0.379070D+00 -0.118630D+02 -0.411066D+01
      2   0.285751D+00 -0.178193D+02  0.413206D+01 -0.104426D+02  0.901578D+01
      3   0.490533D+01  0.647336D+00  0.101904D+01 -0.343763D+01 -0.129694D+02
                56            57            58            59            60 
      1   0.338296D+01 -0.326619D-01 -0.401675D+01 -0.320728D+01 -0.214923D+00
      2   0.196761D+01  0.167802D+02  0.755536D+01 -0.107971D+01  0.649533D+01
      3  -0.194470D+02  0.183879D+01 -0.152917D+02 -0.169026D+02  0.325539D+01
                61            62            63            64            65 
      1   0.380821D+00  0.254994D+01  0.344855D+01  0.730724D+01 -0.141681D+01
      2   0.991177D+00  0.137554D+01 -0.104307D+02  0.111647D+02 -0.245054D+01
      3   0.494818D+01  0.788173D+01 -0.305482D+01 -0.958681D+01 -0.220692D+02
                66            67            68            69            70 
      1  -0.568770D+01 -0.211103D+00  0.606333D+01  0.235636D+01 -0.901273D+01
      2  -0.390375D+01 -0.207504D+01  0.585678D+01  0.292058D+01 -0.126409D+02
      3  -0.567038D+01 -0.103769D+02 -0.507369D+01 -0.565936D+01 -0.236350D+01
                71            72            73            74            75 
      1   0.948594D+01 -0.143213D+02 -0.511390D+00 -0.260320D+01  0.335962D+01
      2   0.701053D+01 -0.153473D+02  0.210008D+01  0.144143D+02 -0.617022D+01
      3  -0.531565D+01 -0.740164D+00  0.678712D+01 -0.187497D+02 -0.145707D+02
                76            77            78            79            80 
      1  -0.309573D+01 -0.663664D+00 -0.260463D+01  0.576704D+01  0.143060D+01
      2   0.182861D+02  0.457567D+01  0.211464D+01 -0.196319D+02 -0.125975D+01
      3  -0.977501D+01 -0.446636D+01 -0.201493D+01 -0.167816D+02 -0.151745D+01
                81            82            83            84            85 
      1   0.166980D+01 -0.861480D+00  0.530412D+01 -0.143223D+01  0.462653D+01
      2  -0.371569D+01 -0.420331D+01 -0.921147D+01 -0.517126D+00 -0.136788D+02
      3  -0.559866D+01 -0.779619D+01  0.590046D+01  0.571686D+01  0.166698D+02
                86            87            88            89            90 
      1  -0.106260D+01  0.705819D+01 -0.127883D+01  0.164993D+02  0.123991D+01
      2  -0.532580D+01 -0.559956D+01 -0.218908D+01 -0.661748D+01 -0.302258D+01
      3   0.966399D+01 -0.226753D+01  0.740647D+01 -0.243622D+01  0.970129D+01
                91            92            93            94            95 
      1  -0.211648D+01  0.602254D+01  0.462738D+01 -0.427378D+01  0.901647D+01
      2  -0.316491D+01 -0.733716D+00  0.206607D+02 -0.246864D+01 -0.370858D+01
      3   0.679155D+01 -0.115545D+02  0.374811D+01  0.391547D+00 -0.175806D+02
                96            97            98            99           100 
      1  -0.853237D+01 -0.180769D+01  0.422594D+01 -0.556757D+01 -0.219007D+01
      2  -0.122927D+02  0.859817D+01 -0.892382D+01 -0.453010D+01  0.538336D+01
      3   0.663086D+00  0.333529D+01 -0.454253D+01  0.639197D+01  0.492925D+01
               101           102           103           104           105 
      1   0.165370D+01 -0.197513D+01  0.935410D+00 -0.164981D+01  0.331437D+00
      2  -0.194749D+01  0.875724D+01 -0.399792D+01  0.164462D+01 -0.429241D+01
      3  -0.382044D+01  0.403942D+01 -0.177931D+01  0.461951D+01 -0.291013D+01
               106           107           108           109           110 
      1  -0.357830D+01  0.334062D+01 -0.361467D+01  0.275290D+01  0.432117D+00
      2   0.844805D+01 -0.998180D+00  0.144345D+02 -0.929368D+01 -0.432217D+01
      3   0.673020D+01 -0.629031D+01  0.448387D+01 -0.521924D+00 -0.514547D+01
               111           112           113           114           115 
      1  -0.279059D+01  0.221486D+01  0.850219D+00 -0.230887D+01 -0.315449D+01
      2   0.967357D+01 -0.571332D+01 -0.411679D+01  0.430080D+01  0.106705D+02
      3   0.141505D+01 -0.166161D+01 -0.486698D+01  0.192130D+01  0.270009D+01
               116           117           118           119           120 
      1   0.427662D+00  0.342665D+01 -0.317667D+00 -0.575882D-01  0.133818D+00
      2   0.390065D+01 -0.113804D+02  0.244865D+01  0.501210D+00  0.828229D+00
      3   0.608717D+01 -0.576990D+00  0.829195D+00 -0.975449D+00  0.380431D+00
               121           122           123           124           125 
      1  -0.208310D+01 -0.261304D+01  0.553259D+00 -0.119621D+01  0.457592D+01
      2   0.159277D+01  0.561941D+00 -0.272012D+01 -0.372400D+01 -0.162680D+01
      3   0.193395D+01  0.830140D+00 -0.118681D+01  0.279013D+00 -0.164440D+01
               126           127           128           129           130 
      1  -0.276305D+01  0.236276D+01 -0.214732D+01  0.248208D+01 -0.177427D+01
      2   0.546238D+01 -0.570806D+00  0.866990D+00  0.552513D+00  0.145026D+01
      3   0.207810D+01 -0.312525D+01  0.211835D+01 -0.269891D+01  0.405602D+01
               131           132           133           134           135 
      1   0.738833D+01 -0.754719D+01  0.998868D+00 -0.644930D+01  0.880689D+01
      2  -0.203646D+01  0.224082D+01 -0.838596D+00  0.337068D+01 -0.295167D+01
      3  -0.111246D+02  0.402364D+01 -0.479758D+01  0.726358D+01 -0.523045D+01
               136           137           138           139           140 
      1  -0.925674D+00 -0.676032D+00  0.516921D-01 -0.471813D+00 -0.570375D+00
      2   0.204514D+01  0.255186D+00  0.545101D+00  0.535165D+00  0.472148D+01
      3  -0.121285D+01 -0.336750D+00  0.814828D+00  0.132961D+01 -0.791091D+01
               141           142           143           144           145 
      1  -0.526599D+01 -0.124035D+00 -0.318099D+01 -0.101122D+02 -0.155094D+01
      2   0.471048D+01 -0.285124D+01  0.750591D+01  0.101990D+02 -0.437548D+01
      3  -0.445745D+01  0.227451D+01 -0.728783D+01 -0.804383D+01 -0.156757D+01
               146           147           148           149           150 
      1   0.302492D+01 -0.294463D+00  0.275426D+01 -0.151173D+02  0.234307D+01
      2   0.223845D+01 -0.149786D+01  0.418086D+01 -0.777971D+01  0.586165D+01
      3   0.102766D+01 -0.317168D+00  0.410380D+01 -0.890881D+01  0.406906D+01
               151           152           153           154           155 
      1  -0.308438D+00  0.490367D+01 -0.291804D+01  0.195723D+01 -0.336929D+01
      2  -0.257237D+01  0.343625D+01 -0.283906D+01  0.445916D+01 -0.132911D+01
      3  -0.744440D+00  0.257985D+01 -0.245992D+01  0.132919D+01 -0.385533D+01
               156           157           158           159           160 
      1   0.134126D+00 -0.150726D+01  0.116992D+01  0.953636D+00 -0.939805D+00
      2   0.356159D+01 -0.204497D+01 -0.137355D+01 -0.181413D+01 -0.350731D+01
      3  -0.676844D+00 -0.727410D+00  0.162475D+01  0.247286D+01 -0.555562D-01
               161           162           163           164           165 
      1   0.335170D+01  0.326566D+00  0.316414D+01  0.497545D+01  0.296674D+00
      2  -0.294487D+00 -0.212727D+01 -0.152319D+02 -0.689344D+01 -0.693152D+01
      3   0.235297D+01  0.997697D+00  0.687450D+01  0.280970D+01  0.303301D+01
               166           167           168           169           170 
      1   0.290926D+01  0.410586D+01  0.675124D+00  0.857189D+00  0.317140D+01
      2  -0.757226D+01 -0.755658D+01 -0.535453D+01 -0.573609D+01 -0.360479D+01
      3   0.562200D+01  0.370566D+01  0.391679D+01  0.154796D+01  0.124040D+01
               171           172           173           174           175 
      1   0.136607D+01  0.168319D+01 -0.254182D+00  0.296768D+01 -0.851158D+00
      2  -0.546545D+01  0.155712D+01 -0.611078D+00  0.361768D+01 -0.266801D+00
      3   0.278027D+01  0.714245D+00  0.358024D+00 -0.822381D+00  0.129691D+01
               176           177           178           179           180 
      1   0.190773D+01 -0.245886D+01  0.428663D+01 -0.356523D+00  0.171841D+02
      2   0.211025D+01 -0.149384D+01  0.197340D+01 -0.488409D+01  0.183008D+02
      3   0.114874D+01 -0.167441D+01 -0.157099D+01 -0.495699D+01  0.235683D+01
               181           182           183           184           185 
      1  -0.203291D+01 -0.912674D+00 -0.339996D+01 -0.117339D+01 -0.234996D+01
      2  -0.164489D+01 -0.811842D+00 -0.275633D+00 -0.343282D+00 -0.152128D+01
      3   0.150805D+02  0.151351D+02  0.336300D+01  0.106483D+02  0.178258D+02
               186           187           188           189           190 
      1  -0.422693D+01 -0.767400D+00 -0.121918D+01 -0.640298D+00 -0.531902D+01
      2  -0.974307D+00 -0.130241D+01 -0.262975D+01 -0.233051D+00 -0.624232D+01
      3   0.305955D+01  0.293583D+01  0.464784D+01  0.378724D+01 -0.378899D+01
               191           192           193           194           195 
      1   0.181648D+01  0.560435D+01  0.261540D+01 -0.230098D+01 -0.306066D+01
      2   0.309816D+01  0.778034D+01  0.160537D+01 -0.292917D+01 -0.287248D+01
      3  -0.270184D+01  0.215530D+01  0.212694D+01  0.291966D+01  0.730201D+00
               196           197           198           199           200 
      1   0.443418D+01 -0.141047D+01 -0.328460D+01 -0.376062D-01  0.402908D+00
      2   0.529682D+01 -0.359457D+01 -0.452260D+01 -0.660921D+00 -0.474999D+00
      3   0.141205D+01  0.383951D+01 -0.290870D+00  0.995249D+00  0.405766D+00
               201           202           203           204           205 
      1   0.261178D+00  0.471068D+01  0.870946D+00 -0.299546D+01  0.263237D+01
      2  -0.107567D+00  0.152881D+01  0.141222D+01 -0.732116D+00 -0.241077D+01
      3  -0.810877D+00  0.279252D+01  0.107768D+00 -0.250205D+00 -0.224243D+01
               206           207           208           209           210 
      1   0.121682D+01  0.351377D+01 -0.926299D+00  0.518788D+00 -0.309321D-01
      2   0.212463D+00  0.254502D+01 -0.845158D+00  0.202690D-01  0.802935D+00
      3  -0.755916D+00  0.493455D+00 -0.178784D+01 -0.806723D+00  0.456918D+00
               211           212           213           214           215 
      1   0.159655D+01 -0.207966D+01 -0.246570D+00  0.665363D+00  0.374696D+01
      2   0.231454D+00 -0.416908D+01  0.541965D+01 -0.384030D+01  0.485215D+01
      3   0.362043D+01 -0.367704D+01  0.440689D+01  0.782528D+00  0.444960D+01
               216           217           218           219           220 
      1   0.716413D+00  0.424100D+00 -0.258209D+01  0.161753D+00  0.117971D+01
      2  -0.108305D+02  0.688419D+00  0.230007D+01 -0.261727D+01  0.122175D+00
      3  -0.543078D+01  0.210490D+01  0.478276D+01 -0.120018D+01  0.835592D+00
               221           222           223           224           225 
      1  -0.131441D+02  0.800398D-01  0.205034D+01 -0.968845D+00 -0.399546D+00
      2   0.452451D+01 -0.398341D+01  0.995021D-01 -0.183888D+01  0.217320D+01
      3   0.281524D+02 -0.358557D+01 -0.194332D+01  0.209652D+01  0.215541D+01
               226           227           228           229           230 
      1   0.279937D+00 -0.186204D+01 -0.440963D+01  0.765975D+00  0.191480D+01
      2   0.625797D+01 -0.192542D+01 -0.133218D+02 -0.158322D+01  0.583701D+01
      3  -0.152247D+01  0.196419D+01  0.350114D-01  0.650361D+00 -0.865934D+00
               231           232           233           234           235 
      1   0.394037D+01 -0.179528D+01  0.347743D+01  0.743871D+01  0.143760D+01
      2   0.977980D+01 -0.661569D+01  0.433095D+01  0.240187D+02 -0.126019D+01
      3  -0.431143D+01  0.192096D-01 -0.306548D+01 -0.292557D+01 -0.450828D+01
               236           237           238           239           240 
      1   0.191320D+01  0.104896D+01  0.597447D+00 -0.315201D+00 -0.246309D+00
      2  -0.320663D+00  0.607474D+01  0.985472D+00  0.628617D+00  0.200444D+01
      3  -0.609748D+01 -0.123850D+01 -0.216447D+01  0.839744D+00 -0.961137D+00
               241           242           243 
      1   0.716529D+00  0.123306D+01  0.959834D+00
      2  -0.126652D+00  0.981571D+00  0.274168D+01
      3  -0.212366D+01 -0.936726D+00 -0.153106D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.436170D+01  0.139792D+02  0.204022D+02  0.124725D+02  0.156010D+02
      2   0.806298D+01 -0.105437D+02 -0.186764D+02 -0.100702D+02  0.204009D+01
      3  -0.124247D+02 -0.343549D+01 -0.172587D+01 -0.240230D+01 -0.176411D+02
      4   0.139594D+02  0.316590D+01 -0.756864D+01  0.609806D+01 -0.163832D+02
      5   0.290805D+02 -0.136098D+02 -0.278707D+02 -0.151144D+02  0.608340D+01
      6  -0.157953D+02 -0.869886D+01  0.257838D+01 -0.703952D+01  0.100937D+02
                 6             7             8             9            10 
      1   0.791342D+00  0.133456D+02  0.218023D-01 -0.176128D+02 -0.271884D+02
      2   0.288077D+01 -0.131662D+02  0.238964D+01 -0.176749D+01  0.226634D+02
      3  -0.367211D+01 -0.179421D+00 -0.241144D+01  0.193803D+02  0.452501D+01
      4   0.120192D+02 -0.776951D+01  0.831443D+01  0.791432D+01 -0.407877D+02
      5   0.472962D+01 -0.270002D+02  0.698842D+01 -0.302910D+01 -0.155932D+02
      6  -0.129139D+02  0.381544D+01 -0.120674D+02 -0.110998D+01  0.141646D+02
                11            12            13            14            15 
      1  -0.220625D+02 -0.100460D+02 -0.318103D+02 -0.276320D+02 -0.124007D+02
      2   0.177468D+02  0.735030D+01  0.229590D+02  0.285745D+01  0.646519D+01
      3   0.431561D+01  0.269570D+01  0.885124D+01  0.247746D+02  0.593550D+01
      4  -0.630472D+00  0.496430D+01 -0.787560D+01  0.531337D+01 -0.144682D+02
      5   0.219243D+01  0.156561D+02  0.355660D+01 -0.100919D+02 -0.648687D+01
      6  -0.250812D+01 -0.260291D+01  0.118433D+01  0.105809D+02  0.705711D+01
                16            17            18            19            20 
      1  -0.581150D+00 -0.104004D+02  0.125716D+02  0.819695D+02  0.143161D+02
      2  -0.640472D+01  0.986249D+01  0.106063D+01 -0.673075D+02 -0.142375D+02
      3   0.698587D+01  0.537924D+00 -0.136323D+02 -0.146620D+02 -0.786098D-01
      4   0.952862D+01 -0.199609D+02 -0.150130D+02  0.219996D+02 -0.163701D+02
      5   0.159368D+02 -0.111075D+02  0.176468D+02 -0.189936D+02 -0.946506D+01
      6  -0.892344D+01  0.594880D+01 -0.712271D+01 -0.299204D+02 -0.702266D+01
                21            22            23            24            25 
      1   0.203410D+01  0.133470D+02  0.125511D+02 -0.631685D+00  0.272486D+01
      2  -0.406567D+01 -0.161466D+02 -0.856233D+01 -0.673073D+01  0.276029D+01
      3   0.203157D+01  0.279952D+01 -0.398880D+01  0.736241D+01 -0.548515D+01
      4  -0.912959D+01 -0.275409D+02 -0.553299D+01  0.218934D+01 -0.147885D+02
      5  -0.240743D+01 -0.141586D+02 -0.502909D+01  0.923187D+01 -0.695013D+01
      6  -0.192649D+01 -0.994414D+01 -0.688616D+01 -0.287271D+01  0.679384D+00
                26            27            28            29            30 
      1  -0.163255D+01  0.608765D+01 -0.145331D+03 -0.141586D+02  0.352040D+01
      2  -0.838262D+01  0.788486D+01  0.942000D+02  0.813950D+01 -0.349376D+01
      3   0.100152D+02 -0.139725D+02  0.511311D+02  0.601913D+01 -0.266388D-01
      4   0.722346D+01  0.100596D+02 -0.208978D+02 -0.107812D+02  0.250011D+00
      5   0.638881D+01 -0.440454D+01  0.354086D+02  0.224386D+01 -0.131382D+02
      6   0.326975D-01  0.805938D+01  0.294513D+02  0.673808D+01  0.160928D+01
                31            32            33            34            35 
      1  -0.437924D+02 -0.281293D+02 -0.654593D+01  0.263006D+02 -0.309194D+01
      2   0.310979D+02  0.213847D+02  0.462118D+01 -0.139976D+02  0.554139D+01
      3   0.126946D+02  0.674460D+01  0.192475D+01 -0.123029D+02 -0.244945D+01
      4  -0.178151D+02 -0.126473D+02 -0.330276D+01  0.185985D+01 -0.356195D+01
      5   0.670723D+01  0.197914D+01 -0.141224D+01 -0.927626D+01  0.155897D+01
      6   0.802182D+01  0.106584D+02  0.536933D+01 -0.477311D-01  0.185533D+01
                36            37            38            39            40 
      1  -0.134693D+02  0.190997D+03  0.339864D+02 -0.165934D+02  0.390932D+02
      2   0.128951D+01 -0.111434D+03 -0.197157D+02  0.103606D+02 -0.198713D+02
      3   0.121798D+02 -0.795631D+02 -0.142707D+02  0.623281D+01 -0.192219D+02
      4   0.826110D+00  0.417953D+02  0.196369D+02  0.137182D+01  0.316927D+02
      5   0.287340D+00 -0.517614D+02 -0.281707D+01  0.122698D+02 -0.235433D+01
      6   0.421870D+01 -0.273256D+02 -0.570053D+01 -0.990880D+00 -0.105502D+02
                41            42            43            44            45 
      1   0.936288D+01 -0.116496D+02 -0.818139D+01 -0.112498D+02  0.109628D+02
      2   0.138761D+01 -0.949063D+00  0.114469D+02  0.456188D+01 -0.477988D+01
      3  -0.107505D+02  0.125987D+02 -0.326555D+01  0.668795D+01 -0.618294D+01
      4   0.664942D+01  0.133478D+01  0.956652D+01  0.662969D+01 -0.109456D+02
      5   0.188611D+01 -0.134181D+02  0.184077D+02 -0.969885D+01  0.727270D+01
      6   0.245123D+00  0.242034D+00  0.998163D+00  0.766688D+00  0.113390D+02
                46            47            48            49            50 
      1  -0.175878D+03 -0.386363D+02  0.353269D+02 -0.673018D+02 -0.213635D+02
      2   0.922003D+02  0.181993D+02 -0.174651D+02  0.347272D+02  0.123003D+02
      3   0.836782D+02  0.204370D+02 -0.178618D+02  0.325746D+02  0.906325D+01
      4  -0.676215D+02 -0.322412D+02  0.107112D+02 -0.184798D+02 -0.883470D+01
      5   0.684755D+02  0.148746D+02 -0.240860D+02  0.330680D+02 -0.128444D+01
      6   0.235785D+02  0.198359D+01 -0.590674D+01  0.145421D+00  0.694730D+01
                51            52            53            54            55 
      1   0.131397D+02  0.450989D+02  0.142985D+02 -0.141474D+02  0.197928D+03
      2  -0.122865D+02 -0.170928D+02 -0.114600D+01  0.116073D+02 -0.101500D+03
      3  -0.853254D+00 -0.280061D+02 -0.131525D+02  0.254007D+01 -0.964274D+02
      4  -0.279467D+01  0.266857D+02 -0.580765D+01  0.986007D+01  0.603684D+02
      5   0.102753D+02 -0.184295D+02  0.105905D+02 -0.191030D+02 -0.650521D+02
      6   0.510313D+00  0.467457D+01 -0.423851D+01  0.659646D+01 -0.136107D+02
                56            57            58            59            60 
      1   0.381491D+02 -0.337601D+02  0.800027D+02  0.330017D+02 -0.491236D+01
      2  -0.148807D+02  0.219644D+02 -0.349874D+02 -0.571240D+01  0.141885D+01
      3  -0.232684D+02  0.117957D+02 -0.450153D+02 -0.272893D+02  0.349351D+01
      4   0.375374D+02 -0.101252D+02  0.640896D+02  0.425497D+02 -0.145957D+02
      5  -0.125122D+02  0.348067D+02 -0.227916D+02 -0.165882D+02  0.838260D+01
      6  -0.576667D+01  0.621986D+01 -0.124459D+02 -0.933264D+01  0.930440D+01
                61            62            63            64            65 
      1  -0.901710D+02 -0.124917D+02  0.257778D+02 -0.177091D+01  0.361544D+02
      2   0.531421D+02  0.536698D+01 -0.233450D+02 -0.157123D+02 -0.297693D+02
      3   0.370289D+02  0.712469D+01 -0.243285D+01  0.174832D+02 -0.638510D+01
      4  -0.262657D+02 -0.114856D+02  0.119924D+02  0.376220D+02 -0.146014D+02
      5   0.617031D+02  0.141597D+02 -0.345235D+02  0.150809D+02 -0.650979D+01
      6   0.130391D+02  0.992525D+01 -0.647439D+01 -0.165972D+02  0.337292D+01
                66            67            68            69            70 
      1   0.171442D+02  0.304718D+02  0.810952D+01  0.943091D+00  0.148845D+02
      2  -0.690120D+01 -0.248669D+02  0.200485D+01 -0.886098D+01  0.406541D+00
      3  -0.102430D+02 -0.560490D+01 -0.101144D+02  0.791789D+01 -0.152910D+02
      4  -0.158675D+02 -0.832652D+01 -0.151699D+02  0.116560D+02 -0.219897D+02
      5  -0.116060D+02 -0.620456D+01  0.115957D+02  0.525927D+01 -0.148909D+02
      6   0.866015D+01  0.466031D+01 -0.121736D+02 -0.535515D+01  0.135256D+02
                71            72            73            74            75 
      1  -0.182117D+01 -0.846639D+01 -0.115520D+02 -0.117375D+02 -0.287987D+01
      2  -0.104321D+02  0.637759D+01  0.728317D+01  0.442195D+01  0.845131D+01
      3   0.122532D+02  0.208880D+01  0.426883D+01  0.731559D+01 -0.557144D+01
      4   0.147736D+02  0.195123D+02 -0.118984D+02  0.642231D+01  0.181759D+02
      5   0.130229D+02 -0.313455D+02  0.692192D+01  0.185012D+02 -0.222138D+02
      6  -0.572468D+01  0.213222D+02  0.390088D+01  0.984358D+01  0.110130D+01
                76            77            78            79            80 
      1  -0.128148D+02  0.231271D+02  0.312325D+02  0.475572D+01  0.315292D+02
      2   0.641689D+01 -0.103417D+02 -0.165678D+02  0.778866D+01 -0.192428D+02
      3   0.639789D+01 -0.127854D+02 -0.146647D+02 -0.125444D+02 -0.122864D+02
      4   0.143543D+02  0.151329D+02  0.126119D+02  0.332211D+02  0.179160D+02
      5   0.310585D+02  0.849438D+01  0.618174D+01 -0.331899D+02  0.365671D+01
      6   0.808694D+01  0.143582D+01 -0.174967D+01 -0.224696D+01 -0.380003D+00
                81            82            83            84            85 
      1  -0.257186D+02 -0.456757D+02  0.177136D+01  0.953562D+01  0.590800D+01
      2   0.177042D+02  0.412574D+02  0.110365D+02 -0.838374D+01  0.924689D+01
      3   0.801438D+01  0.441834D+01 -0.128079D+02 -0.115188D+01 -0.151549D+02
      4  -0.261373D+00  0.187590D+02  0.180110D+02  0.133919D+01  0.256876D+02
      5  -0.119446D+02  0.138838D+02  0.360377D+01  0.157743D+01  0.300239D+01
      6   0.541669D+01  0.207168D+02 -0.373346D-01  0.168435D+00  0.192761D+01
                86            87            88            89            90 
      1   0.899938D+01 -0.424324D+01  0.293170D+02  0.223039D+01  0.242768D+02
      2  -0.189915D+01  0.129417D+02 -0.239203D+02  0.105602D+02 -0.196855D+02
      3  -0.710023D+01 -0.869841D+01 -0.539666D+01 -0.127906D+02 -0.459131D+01
      4   0.216354D+01 -0.524773D+01 -0.145906D+01 -0.996855D+01 -0.154857D+02
      5   0.240430D+01 -0.117864D+02 -0.549347D+00 -0.185336D+02 -0.695947D+01
      6  -0.937598D+00 -0.171910D+02 -0.727176D+01 -0.293263D+02 -0.193967D+02
                91            92            93            94            95 
      1  -0.637227D+02  0.110858D+01 -0.357007D+02 -0.108651D+02  0.227219D+02
      2   0.388545D+02 -0.700750D+01  0.825609D+01  0.430162D+01 -0.244686D+02
      3   0.248682D+02  0.589892D+01  0.274446D+02  0.656349D+01  0.174665D+01
      4   0.112378D+01  0.181637D+02 -0.143992D+01  0.107248D+02  0.254160D+02
      5  -0.310110D+02 -0.348700D+01  0.136911D+02 -0.941409D+01  0.404663D+01
      6  -0.526291D+00  0.601067D+01 -0.553349D+00  0.388179D+01  0.784531D+01
                96            97            98            99           100 
      1   0.245239D+01 -0.188617D+02  0.471651D+01  0.187045D+02  0.397832D+02
      2   0.105101D+02  0.319391D+01  0.741349D+00 -0.429796D+01 -0.258188D+02
      3  -0.129625D+02  0.156678D+02 -0.545786D+01 -0.144066D+02 -0.139643D+02
      4   0.156797D+01 -0.570971D+01  0.773252D+01 -0.177348D+02  0.233767D+01
      5  -0.171121D+02  0.162369D+02 -0.152554D+02  0.999585D+01  0.267201D+02
      6   0.268993D+01 -0.334362D+01  0.737963D+01 -0.114176D+02 -0.772682D-01
               101           102           103           104           105 
      1  -0.114795D+01  0.177486D+02 -0.113841D+02  0.321525D+01 -0.867720D+01
      2   0.152008D+01 -0.136500D+02  0.779717D+01 -0.273778D+01  0.639933D+01
      3  -0.372129D+00 -0.409865D+01  0.358689D+01 -0.477471D+00  0.227787D+01
      4   0.622249D+01 -0.187922D+01  0.835560D+01 -0.619060D+01  0.495347D+01
      5  -0.395314D+01  0.229053D+02 -0.116503D+02  0.647117D+01 -0.950213D+01
      6   0.994553D+00  0.140033D+01  0.249528D+01 -0.178807D+01  0.372923D+01
               106           107           108           109           110 
      1   0.283495D+02 -0.523602D+01  0.186178D+02  0.549783D+02  0.162452D+02
      2  -0.236846D+02  0.493129D+01 -0.219850D+02 -0.254528D+02 -0.507917D+01
      3  -0.466495D+01  0.304728D+00  0.336722D+01 -0.295255D+02 -0.111660D+02
      4  -0.206391D+01  0.766464D+01  0.135504D+00  0.294331D+02  0.164091D+02
      5   0.357726D+02 -0.280852D+01  0.370967D+02 -0.179541D+02 -0.810642D+01
      6   0.147547D+01  0.379357D+01  0.197965D+01 -0.689321D+01 -0.336882D+01
               111           112           113           114           115 
      1  -0.143491D+02  0.179275D+02  0.687494D+01 -0.769569D+01 -0.322359D+02
      2   0.610938D+01 -0.456826D+01  0.259270D+01  0.272277D+01  0.151089D+02
      3   0.823972D+01 -0.133592D+02 -0.946765D+01  0.497292D+01  0.171270D+02
      4  -0.106566D+02  0.216835D+02  0.170489D+02 -0.941831D+01 -0.216814D+02
      5   0.165710D+02 -0.984344D+01 -0.764307D+01  0.614106D+01  0.268378D+02
      6   0.383786D+01 -0.516568D+01 -0.314967D+01  0.487969D+01  0.818162D+01
               116           117           118           119           120 
      1  -0.118072D+02  0.165819D+02  0.151572D+01 -0.448156D+00  0.192992D+01
      2   0.413089D+01 -0.108475D+02 -0.377109D+01  0.104118D+00  0.667153D-02
      3   0.767635D+01 -0.573437D+01  0.225537D+01  0.344039D+00 -0.193659D+01
      4  -0.165130D+02  0.114212D+02 -0.167400D+01  0.273272D+01 -0.261110D+00
      5   0.857419D+01 -0.197086D+02  0.123516D+01 -0.103233D+01  0.646362D+01
      6   0.572991D+01 -0.736270D+01 -0.149451D+01  0.106077D+00  0.236414D+00
               121           122           123           124           125 
      1   0.210906D+01 -0.723586D+01  0.712672D+01 -0.186196D+00  0.436598D+01
      2  -0.817149D-01  0.210420D+01  0.179001D+00 -0.566659D+00  0.311747D+01
      3  -0.202734D+01  0.513166D+01 -0.730572D+01  0.752855D+00 -0.748345D+01
      4   0.268013D+01 -0.260597D+01  0.254162D+01 -0.350123D+00  0.480203D+01
      5  -0.139364D+01  0.209798D+01 -0.509366D+01  0.535909D+01 -0.311513D+01
      6   0.173997D+00 -0.537677D+01  0.744662D+01 -0.533849D+00  0.586859D+01
               126           127           128           129           130 
      1  -0.195357D+02 -0.329315D+00  0.785787D+01 -0.304179D+01  0.609834D+01
      2  -0.105759D+02  0.229593D+01 -0.110047D+02  0.362363D+01 -0.620516D+01
      3   0.301115D+02 -0.196661D+01  0.314687D+01 -0.581838D+00  0.106823D+00
      4  -0.409035D+01 -0.172676D+01  0.163923D+01 -0.183366D+01  0.416110D+01
      5   0.105985D+02 -0.124594D+01  0.382900D+00 -0.261894D+00  0.781959D+00
      6  -0.601021D+01 -0.436286D+01  0.122746D+01 -0.233327D+01  0.310797D+00
               131           132           133           134           135 
      1  -0.235836D+02  0.629470D+01 -0.687699D+01  0.135942D+02 -0.117199D+02
      2   0.360989D+02 -0.114935D+02  0.467304D+01 -0.220451D+02  0.129359D+02
      3  -0.125153D+02  0.519884D+01  0.220396D+01  0.845089D+01 -0.121599D+01
      4   0.118814D+02 -0.328798D+01 -0.398804D+01 -0.778086D+01  0.464593D+01
      5  -0.545592D+01  0.543598D+01 -0.309038D+00  0.706557D+01 -0.614939D+01
      6  -0.636243D+01  0.996304D+01 -0.272799D+00  0.118854D+02 -0.788322D+01
               136           137           138           139           140 
      1   0.643627D+01  0.489638D+01  0.335363D+01  0.360289D+01 -0.207032D+02
      2  -0.592538D+01 -0.361732D+01 -0.118476D+01 -0.248185D+01  0.198744D+02
      3  -0.510883D+00 -0.127907D+01 -0.216887D+01 -0.112103D+01  0.828852D+00
      4   0.495226D+01  0.549698D+01  0.497367D+01  0.725033D+01  0.153740D+02
      5   0.287012D+01  0.384725D+01  0.627505D+01  0.352031D+01  0.105189D+02
      6   0.286910D+01 -0.239455D-01  0.892421D-01  0.307557D+01  0.231945D+02
               141           142           143           144           145 
      1  -0.133711D+02 -0.290201D+01 -0.241372D+02 -0.291339D+02 -0.239614D+01
      2   0.883216D+01  0.239644D+01  0.135107D+02  0.682397D+01 -0.555000D+00
      3   0.453894D+01  0.505561D+00  0.106264D+02  0.223100D+02  0.295114D+01
      4   0.104306D+02  0.103583D+02  0.171935D+02  0.163581D+02  0.107601D+01
      5   0.103444D+02  0.108494D+02  0.185750D+02  0.228545D+02 -0.213353D+01
      6   0.218205D+02  0.829680D+01  0.331025D+02  0.368064D+02 -0.177043D+01
               146           147           148           149           150 
      1   0.257239D+01 -0.559283D+01  0.366512D+01 -0.133889D+02  0.100199D+02
      2  -0.111163D+00  0.142515D+01 -0.163458D+01  0.477775D+01  0.349705D+01
      3  -0.246123D+01  0.416768D+01 -0.203054D+01  0.861117D+01 -0.135170D+02
      4  -0.490253D-01  0.732332D+00  0.787993D-01  0.187373D+02 -0.857737D+01
      5  -0.830275D+00  0.380089D+01 -0.336057D+01 -0.577345D+01  0.847616D+01
      6   0.434799D+01 -0.209512D+01  0.278694D+01 -0.222863D+02  0.131077D+02
               151           152           153           154           155 
      1  -0.279734D+01  0.668372D+01 -0.702533D+01  0.242257D+02 -0.441381D+01
      2   0.137595D+01  0.120148D+01 -0.263877D+01 -0.234684D+02  0.353676D+01
      3   0.142139D+01 -0.788520D+01  0.966410D+01 -0.757331D+00  0.877047D+00
      4   0.403277D+00 -0.483956D+01  0.425633D+01 -0.128577D+02  0.948541D+01
      5   0.453745D+01  0.284996D+01 -0.353801D+01 -0.412800D+02  0.982752D+01
      6  -0.177985D+01  0.113902D+02 -0.762092D+01  0.891558D+01 -0.664422D+01
               156           157           158           159           160 
      1  -0.902799D+01 -0.468080D+01  0.740179D-01 -0.664786D+00 -0.692248D+01
      2   0.192084D+02  0.394770D+01 -0.177491D+01 -0.347611D+01  0.149077D+02
      3  -0.101804D+02  0.733100D+00  0.170090D+01  0.414090D+01 -0.798524D+01
      4   0.799546D+01  0.888644D+01 -0.575601D+01 -0.811938D+01  0.557033D+01
      5   0.361119D+02  0.106925D+02 -0.891558D+01 -0.101698D+02  0.266066D+02
      6  -0.691274D+01 -0.593631D+01  0.467132D+01  0.881760D+01 -0.501968D+01
               161           162           163           164           165 
      1  -0.456630D+00  0.108175D+01 -0.108256D+02 -0.104891D+02 -0.149984D+02
      2  -0.214837D+01 -0.159269D+02  0.225590D+01  0.522449D+01  0.755748D+00
      3   0.260500D+01  0.148451D+02  0.856971D+01  0.526460D+01  0.142427D+02
      4  -0.453704D+01 -0.654928D+01  0.192576D+00 -0.142200D+01 -0.301334D+00
      5  -0.674516D+01 -0.279410D+02  0.739163D+01  0.443359D+01  0.349132D+01
      6   0.636853D+01  0.704056D+01  0.842136D+01  0.988373D+01  0.717850D+01
               166           167           168           169           170 
      1  -0.977488D+01 -0.141970D+02 -0.105263D+02 -0.794218D+01 -0.581306D+01
      2   0.534275D+01  0.809426D+01  0.673846D+00  0.746108D+00 -0.240425D+00
      3   0.443213D+01  0.610276D+01  0.985244D+01  0.719607D+01  0.605348D+01
      4  -0.112688D+00 -0.178953D+01 -0.337379D+01 -0.184755D-01 -0.176775D+01
      5   0.638507D+01  0.886612D+00 -0.201703D+01  0.646561D+01  0.251394D+00
      6   0.692755D+01  0.106138D+02  0.110351D+02  0.410864D+01  0.755734D+01
               171           172           173           174           175 
      1  -0.936773D+01  0.496736D+01 -0.513816D+01  0.372226D+01 -0.771734D+00
      2  -0.210029D+01 -0.170633D+01  0.270349D+01 -0.285444D+01 -0.387113D-01
      3   0.114680D+02 -0.326103D+01  0.243467D+01 -0.867823D+00  0.810445D+00
      4  -0.145375D+01 -0.899392D+01  0.613678D+01 -0.403208D+01  0.414222D+01
      5   0.541588D+00  0.655526D+01 -0.242285D+01  0.109879D+02 -0.883831D+00
      6   0.663323D+01 -0.301865D+01  0.162634D+01 -0.523288D+01  0.189167D+01
               176           177           178           179           180 
      1  -0.359366D+01  0.326856D+01  0.463144D+01  0.483694D+01 -0.517733D+01
      2   0.314995D+01 -0.411396D+01 -0.378641D+01 -0.636509D+01 -0.742716D+01
      3   0.443713D+00  0.845391D+00 -0.845025D+00  0.152815D+01  0.126045D+02
      4  -0.256184D+01  0.527738D+01 -0.906395D+01  0.124417D+02 -0.150212D+02
      5   0.483045D+01 -0.339714D+01  0.161577D+02 -0.117906D+02  0.391879D+02
      6  -0.463863D+01  0.869204D+01 -0.946414D+01  0.132947D+02 -0.305819D+02
               181           182           183           184           185 
      1  -0.142172D+02 -0.253591D+02 -0.561457D+01 -0.153136D+02 -0.275633D+02
      2   0.151809D+02  0.298261D+02  0.434855D+01  0.153162D+02  0.372128D+02
      3  -0.963698D+00 -0.446700D+01  0.126603D+01 -0.263526D-02 -0.964955D+01
      4   0.451653D+01 -0.134553D+01  0.244924D+01  0.559735D+01 -0.770929D+01
      5  -0.303734D+01 -0.816985D+00 -0.126522D+01 -0.118841D+01 -0.309038D+01
      6   0.329873D+01  0.159169D+01  0.520398D+01  0.978179D+00  0.350658D+01
               186           187           188           189           190 
      1  -0.462715D+01 -0.590638D+01 -0.608353D+01 -0.568085D+01  0.447542D+02
      2   0.589392D+01  0.311533D+01  0.874471D+01  0.487909D+01 -0.109373D+02
      3  -0.126677D+01  0.279105D+01 -0.266118D+01  0.801754D+00 -0.338169D+02
      4  -0.132845D+01  0.362152D+01 -0.444233D+01 -0.236128D+01 -0.503122D+02
      5  -0.309885D+01  0.147958D+01 -0.351235D+01  0.105898D+01 -0.152276D+02
      6   0.630899D+01  0.171449D+01  0.759151D+01  0.164797D+01  0.972158D+01
               191           192           193           194           195 
      1  -0.166035D+02 -0.121135D+02 -0.122848D+02  0.366621D+01  0.116535D+01
      2  -0.184557D+01  0.414024D+01 -0.110927D+01  0.856817D+01  0.328378D+01
      3   0.184491D+02  0.797331D+01  0.133941D+02 -0.122344D+02 -0.444913D+01
      4   0.326896D+02  0.132622D+02  0.234616D+02 -0.201719D+02 -0.810689D+01
      5   0.640967D+01  0.136002D+02  0.529451D+01 -0.557916D+01 -0.422667D+01
      6  -0.535517D+01 -0.921146D+01 -0.372469D+01  0.551766D+01  0.529119D+01
               196           197           198           199           200 
      1  -0.159997D+02  0.326126D+01  0.709528D+01 -0.901658D+00 -0.202406D+01
      2   0.365174D+01  0.540133D+01 -0.302429D+01  0.174202D+01  0.179451D+01
      3   0.123480D+02 -0.866259D+01 -0.407098D+01 -0.840363D+00  0.229551D+00
      4   0.225221D+02 -0.179015D+02 -0.139041D+02 -0.171572D+01  0.207125D+01
      5   0.156045D+02 -0.912844D+01 -0.995202D+01  0.289815D+01 -0.148904D+01
      6  -0.109441D+02  0.791436D+01  0.654513D+01  0.208200D-01  0.353057D+00
               201           202           203           204           205 
      1   0.168344D+01 -0.210396D+01 -0.234931D+01  0.574118D+01  0.316091D+01
      2  -0.131297D+01 -0.197709D+01  0.303290D+01 -0.334233D+01 -0.304917D+01
      3  -0.370473D+00  0.408105D+01 -0.683587D+00 -0.239885D+01 -0.111738D+00
      4  -0.216419D+01  0.163120D+01 -0.207959D+01  0.314663D+01 -0.216265D+01
      5   0.415199D+01 -0.102056D+01  0.139850D+01 -0.224501D+01  0.343238D+01
      6  -0.334212D+00  0.264983D-01 -0.435423D+01  0.349940D+01 -0.728077D+00
               206           207           208           209           210 
      1   0.623627D+01 -0.651440D+01 -0.465731D+00  0.138665D+01 -0.245648D+01
      2  -0.514379D+01  0.164825D+01 -0.121105D+01 -0.672221D+00  0.475299D+00
      3  -0.109248D+01  0.486616D+01  0.167678D+01 -0.714426D+00  0.198118D+01
      4   0.357437D+01 -0.444059D+01  0.162870D+01  0.270167D+01 -0.255590D+01
      5  -0.362729D+01  0.541996D+01 -0.234834D+01 -0.282572D+01  0.592728D+01
      6   0.414583D+01 -0.644482D+01 -0.253031D+01 -0.817348D-02  0.471979D+00
               211           212           213           214           215 
      1   0.309096D+01 -0.945580D+01  0.108991D+02 -0.321997D+01  0.103214D+02
      2  -0.387112D+01  0.400739D+01 -0.108386D+01  0.176671D+01 -0.240083D+01
      3   0.780153D+00  0.544840D+01 -0.981527D+01  0.145326D+01 -0.792058D+01
      4   0.292802D+00  0.562538D+01 -0.591231D+01 -0.284913D+01 -0.551247D+01
      5  -0.349705D+01 -0.715373D+01  0.102238D+02  0.335722D+01  0.842770D+01
      6  -0.222616D+00 -0.799172D+01  0.848476D+01  0.166105D+01  0.920668D+01
               216           217           218           219           220 
      1  -0.222364D+02  0.402181D+01 -0.912456D+01  0.462721D+01 -0.111433D+02
      2  -0.312658D+01 -0.746577D-02  0.791308D+01 -0.101408D+01  0.450529D+01
      3   0.253630D+02 -0.401434D+01  0.121148D+01 -0.361313D+01  0.663801D+01
      4   0.726683D+01 -0.300963D+01 -0.361016D+01  0.142173D+01  0.891887D+01
      5  -0.194147D+02  0.515165D+00 -0.111391D+00 -0.397479D+01 -0.742733D+01
      6  -0.118717D+02 -0.126495D+01 -0.323745D+01  0.166514D+01  0.217791D+01
               221           222           223           224           225 
      1  -0.214335D+02  0.172681D+01  0.294653D+01  0.848303D+00 -0.603252D+01
      2   0.344195D+02 -0.113808D+01 -0.188142D+01  0.262084D+01  0.235814D+01
      3  -0.129860D+02 -0.588721D+00 -0.106512D+01 -0.346914D+01  0.367438D+01
      4  -0.486153D+02  0.686119D+01  0.251200D+01 -0.348507D+01 -0.282693D+01
      5   0.431388D+01 -0.103585D+02  0.679393D+00 -0.301458D+01  0.145189D+01
      6  -0.169472D+02  0.765812D+01  0.152618D+00  0.497076D+01 -0.704085D+00
               226           227           228           229           230 
      1  -0.447203D+01  0.404657D+01  0.174054D+02  0.530800D+01 -0.925340D+01
      2  -0.181813D+01 -0.586030D-01  0.118149D+01 -0.259131D+01  0.362549D+01
      3   0.629015D+01 -0.398797D+01 -0.185869D+02 -0.271669D+01  0.562791D+01
      4   0.420417D+01 -0.565255D+01 -0.952889D+00 -0.864416D+00  0.157237D+01
      5   0.945529D+00  0.734424D+00 -0.102231D+02  0.264551D+01  0.487622D+01
      6   0.141572D+01 -0.344758D+01 -0.663189D+00 -0.119700D+01  0.294552D+01
               231           232           233           234           235 
      1  -0.748639D+01  0.178553D+02 -0.545015D+01 -0.254199D+02  0.883039D+02
      2  -0.425571D+01 -0.628403D+01 -0.157727D+01 -0.105233D+02 -0.491283D+02
      3   0.117421D+02 -0.115712D+02  0.702742D+01  0.359431D+02 -0.391755D+02
      4   0.651765D+01 -0.444122D+01  0.758464D+01  0.606606D+01 -0.139489D+02
      5   0.119886D+02  0.295423D+01  0.424474D+01  0.281345D+02  0.439909D+02
      6   0.701024D+01 -0.123596D+01  0.540613D+01  0.223424D+01 -0.128742D+01
               236           237           238           239           240 
      1  -0.376128D+01  0.228544D+02  0.526160D+01  0.643060D+01  0.176171D+01
      2   0.693628D+00 -0.162120D+02 -0.379149D+01 -0.174312D+01 -0.228310D+01
      3   0.306765D+01 -0.664246D+01 -0.147012D+01 -0.468748D+01  0.521393D+00
      4   0.124014D+02 -0.357577D+01  0.108646D+02 -0.289212D+01  0.376103D+01
      5  -0.175872D+01  0.239613D+02  0.359011D+01  0.472150D+01  0.365424D+01
      6   0.373980D+01 -0.165762D+01  0.380856D+01 -0.727397D+00  0.236709D+01
               241           242           243 
      1   0.118570D+02 -0.142164D+00  0.869928D+01
      2  -0.102032D+02 -0.427304D+00 -0.931942D+01
      3  -0.165383D+01  0.569468D+00  0.620140D+00
      4  -0.124820D+01  0.171360D+01 -0.226762D+00
      5   0.178536D+02  0.507248D+00  0.128013D+02
      6  -0.198673D+01  0.182254D+01 -0.535171D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sun Sep 26 20:24:46 2021, MaxMem=  6442450944 cpu:           16400.9 elap:            2055.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.13290 -10.27234 -10.21030 -10.20550 -10.19804
 Alpha  occ. eigenvalues --  -10.19399 -10.19150 -10.18793 -10.18552 -10.18356
 Alpha  occ. eigenvalues --  -10.17963  -1.04352  -0.87813  -0.80974  -0.75831
 Alpha  occ. eigenvalues --   -0.74133  -0.70111  -0.68602  -0.62322  -0.60544
 Alpha  occ. eigenvalues --   -0.54883  -0.52572  -0.48914  -0.48607  -0.47040
 Alpha  occ. eigenvalues --   -0.45429  -0.44497  -0.44116  -0.42665  -0.41160
 Alpha  occ. eigenvalues --   -0.40144  -0.39553  -0.38695  -0.37198  -0.36967
 Alpha  occ. eigenvalues --   -0.36592  -0.35646  -0.32914  -0.31877  -0.31018
 Alpha  occ. eigenvalues --   -0.27019  -0.25182
 Alpha virt. eigenvalues --   -0.06291  -0.01670  -0.00626   0.00079   0.00191
 Alpha virt. eigenvalues --    0.01731   0.01928   0.02176   0.02328   0.02689
 Alpha virt. eigenvalues --    0.03741   0.04305   0.04820   0.04890   0.05098
 Alpha virt. eigenvalues --    0.05516   0.05935   0.06479   0.06799   0.07313
 Alpha virt. eigenvalues --    0.07546   0.08194   0.08784   0.09027   0.09370
 Alpha virt. eigenvalues --    0.09783   0.10186   0.10575   0.10775   0.10813
 Alpha virt. eigenvalues --    0.11052   0.11372   0.11507   0.11904   0.12371
 Alpha virt. eigenvalues --    0.12702   0.12753   0.13197   0.13297   0.13966
 Alpha virt. eigenvalues --    0.14169   0.14506   0.14843   0.15038   0.15566
 Alpha virt. eigenvalues --    0.15699   0.15802   0.16923   0.16985   0.17241
 Alpha virt. eigenvalues --    0.17639   0.18279   0.18585   0.19329   0.20127
 Alpha virt. eigenvalues --    0.20261   0.20708   0.21314   0.21960   0.22371
 Alpha virt. eigenvalues --    0.22680   0.23300   0.23668   0.23993   0.24368
 Alpha virt. eigenvalues --    0.25455   0.25612   0.26111   0.26603   0.27461
 Alpha virt. eigenvalues --    0.27991   0.28413   0.28737   0.28989   0.29161
 Alpha virt. eigenvalues --    0.29924   0.30532   0.31313   0.31656   0.31815
 Alpha virt. eigenvalues --    0.32532   0.33003   0.33589   0.34044   0.34766
 Alpha virt. eigenvalues --    0.35215   0.35701   0.35792   0.36226   0.36634
 Alpha virt. eigenvalues --    0.36816   0.37242   0.37779   0.38214   0.38646
 Alpha virt. eigenvalues --    0.38764   0.39130   0.39914   0.40470   0.40963
 Alpha virt. eigenvalues --    0.41361   0.42141   0.42414   0.42757   0.43043
 Alpha virt. eigenvalues --    0.44035   0.44973   0.45303   0.45757   0.46648
 Alpha virt. eigenvalues --    0.46867   0.47743   0.48305   0.48917   0.49061
 Alpha virt. eigenvalues --    0.49698   0.50692   0.51064   0.51443   0.51618
 Alpha virt. eigenvalues --    0.51969   0.52687   0.53151   0.53405   0.54093
 Alpha virt. eigenvalues --    0.54544   0.55610   0.55959   0.56148   0.56221
 Alpha virt. eigenvalues --    0.56783   0.57155   0.57343   0.58230   0.58432
 Alpha virt. eigenvalues --    0.59893   0.60300   0.61055   0.61564   0.62293
 Alpha virt. eigenvalues --    0.62808   0.63938   0.64380   0.64649   0.65150
 Alpha virt. eigenvalues --    0.65489   0.65726   0.66840   0.67246   0.67647
 Alpha virt. eigenvalues --    0.68185   0.68526   0.69390   0.70038   0.70216
 Alpha virt. eigenvalues --    0.70382   0.71216   0.71670   0.71908   0.72233
 Alpha virt. eigenvalues --    0.72993   0.73607   0.74874   0.75899   0.76311
 Alpha virt. eigenvalues --    0.76870   0.78037   0.78305   0.78879   0.79155
 Alpha virt. eigenvalues --    0.79834   0.80665   0.80917   0.82142   0.82573
 Alpha virt. eigenvalues --    0.83554   0.85109   0.85644   0.86814   0.87466
 Alpha virt. eigenvalues --    0.87896   0.88953   0.89538   0.90181   0.91495
 Alpha virt. eigenvalues --    0.92852   0.94155   0.95169   0.96430   0.97311
 Alpha virt. eigenvalues --    0.98457   0.98927   0.99708   1.00751   1.01892
 Alpha virt. eigenvalues --    1.03193   1.03511   1.05213   1.06131   1.06405
 Alpha virt. eigenvalues --    1.07610   1.10455   1.10960   1.11915   1.12809
 Alpha virt. eigenvalues --    1.14467   1.15614   1.16156   1.17597   1.19382
 Alpha virt. eigenvalues --    1.19860   1.21144   1.23448   1.23843   1.26736
 Alpha virt. eigenvalues --    1.27066   1.28046   1.29651   1.30047   1.32818
 Alpha virt. eigenvalues --    1.35553   1.37115   1.38308   1.39530   1.41136
 Alpha virt. eigenvalues --    1.43149   1.44228   1.44588   1.46717   1.47360
 Alpha virt. eigenvalues --    1.48865   1.50049   1.50488   1.51394   1.53939
 Alpha virt. eigenvalues --    1.54381   1.54771   1.55264   1.56943   1.58539
 Alpha virt. eigenvalues --    1.59305   1.59781   1.61544   1.63041   1.63741
 Alpha virt. eigenvalues --    1.64182   1.64877   1.66129   1.67301   1.68070
 Alpha virt. eigenvalues --    1.69417   1.69861   1.70192   1.71956   1.74044
 Alpha virt. eigenvalues --    1.74254   1.74831   1.77088   1.77544   1.78762
 Alpha virt. eigenvalues --    1.79575   1.80279   1.81261   1.81487   1.82759
 Alpha virt. eigenvalues --    1.85046   1.86341   1.87957   1.88495   1.89283
 Alpha virt. eigenvalues --    1.90814   1.91840   1.93015   1.94391   1.96902
 Alpha virt. eigenvalues --    1.98082   1.98571   1.98806   2.00047   2.01569
 Alpha virt. eigenvalues --    2.02454   2.02739   2.04425   2.05602   2.06795
 Alpha virt. eigenvalues --    2.08514   2.09185   2.10311   2.11234   2.11827
 Alpha virt. eigenvalues --    2.12833   2.13753   2.15222   2.15782   2.18545
 Alpha virt. eigenvalues --    2.20802   2.21157   2.21678   2.22998   2.23761
 Alpha virt. eigenvalues --    2.25115   2.26401   2.27957   2.30552   2.31427
 Alpha virt. eigenvalues --    2.32781   2.33675   2.34776   2.36329   2.37683
 Alpha virt. eigenvalues --    2.39643   2.40051   2.41981   2.43609   2.46065
 Alpha virt. eigenvalues --    2.46140   2.47946   2.48116   2.51492   2.52333
 Alpha virt. eigenvalues --    2.55390   2.55900   2.57711   2.58717   2.59707
 Alpha virt. eigenvalues --    2.60597   2.61472   2.62756   2.65555   2.66495
 Alpha virt. eigenvalues --    2.67976   2.71196   2.73336   2.75489   2.79073
 Alpha virt. eigenvalues --    2.80787   2.84675   2.87420   2.90955   2.93079
 Alpha virt. eigenvalues --    2.98600   3.03301   3.05773   3.17112   3.21723
 Alpha virt. eigenvalues --    3.32967   3.40363   3.42125   3.43702   3.46677
 Alpha virt. eigenvalues --    3.62275   3.65365   3.75806   3.99531   4.92607
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.364035  -0.832252  -0.260067  -0.722885   0.227887  -0.022251
     2  C   -0.832252  10.313492  -4.574553   2.161481  -0.750776  -0.043152
     3  C   -0.260067  -4.574553  28.626700 -12.305807   0.452530  -0.251688
     4  C   -0.722885   2.161481 -12.305807  20.881452  -5.854450  -1.159169
     5  C    0.227887  -0.750776   0.452530  -5.854450  16.979938  -2.638492
     6  C   -0.022251  -0.043152  -0.251688  -1.159169  -2.638492   9.542307
     7  O    0.000261   0.000222  -0.007303  -0.075191  -0.121580   0.301358
     8  C   -0.288720  -0.462465   0.029035  -0.129431  -0.120491   0.024607
     9  C   -0.684648  -1.180985   1.566649  -0.043452   0.073096  -0.026431
    10  C    0.284601   1.396912  -3.187289   0.648319  -0.290148  -0.066456
    11  C   -0.013182   0.027236  -0.261308  -0.036146  -0.137095   0.259423
    12  H    0.161165   0.220006  -0.314236   0.154086   0.050508   0.000120
    13  H    0.036853  -0.116411   0.400190  -0.184383  -0.005935  -0.000125
    14  H    0.212762   0.764320  -4.073333   1.215170   0.063071  -0.042185
    15  H    0.250859   0.049899  -0.405347  -0.220083   0.227749  -0.020442
    16  H   -0.163774  -0.111999   0.056137   0.621424  -0.121240   0.011398
    17  H   -0.276851   0.780140   0.196957  -0.228101   0.017788  -0.014703
    18  H    0.044004  -0.209067   0.242599  -0.061095   0.031170   0.001308
    19  H    0.367861  -0.104252  -0.784780   0.376297   0.019166   0.008805
    20  H   -0.114070   0.543644  -0.447552   0.250699  -0.060162   0.001277
    21  H    0.050880  -0.073092   0.064685  -0.066927   0.008830  -0.006379
    22  H    0.063082  -0.148614   0.255846  -0.042427   0.006546   0.002548
    23  H    0.074455  -0.156791  -0.272344  -1.051087  -1.580626   0.115623
    24  H    0.019091  -0.009214  -0.149868   0.791530  -2.168654   0.056133
    25  H    0.002564  -0.011565   0.025703   0.115077  -0.300677   0.058592
    26  H   -0.029277   0.036614  -0.011201   0.077855  -0.262453   0.059907
    27  H    0.001638  -0.001497   0.021296  -0.069064   0.450377   0.003335
               7          8          9         10         11         12
     1  C    0.000261  -0.288720  -0.684648   0.284601  -0.013182   0.161165
     2  C    0.000222  -0.462465  -1.180985   1.396912   0.027236   0.220006
     3  C   -0.007303   0.029035   1.566649  -3.187289  -0.261308  -0.314236
     4  C   -0.075191  -0.129431  -0.043452   0.648319  -0.036146   0.154086
     5  C   -0.121580  -0.120491   0.073096  -0.290148  -0.137095   0.050508
     6  C    0.301358   0.024607  -0.026431  -0.066456   0.259423   0.000120
     7  O    8.519608  -0.000198  -0.000957   0.002898   0.043559  -0.000045
     8  C   -0.000198   6.187562  -0.411295  -0.072309  -0.003222  -0.291276
     9  C   -0.000957  -0.411295   8.336477  -1.439154  -0.011399  -0.646147
    10  C    0.002898  -0.072309  -1.439154   8.569844  -0.034965   0.002083
    11  C    0.043559  -0.003222  -0.011399  -0.034965   4.820876   0.001428
    12  H   -0.000045  -0.291276  -0.646147   0.002083   0.001428   3.031402
    13  H    0.000000   0.098550  -0.783188   0.140833  -0.000829  -0.746995
    14  H    0.000359  -0.186810  -0.390997   0.205236   0.033164   0.058070
    15  H    0.000073   0.017591  -0.088963  -0.445507   0.001746   0.264253
    16  H   -0.000117   0.059526   0.203033  -0.811957   0.000782  -0.269515
    17  H    0.000308   0.012639  -0.222626  -0.146443  -0.000602   0.003162
    18  H    0.000002  -0.020375   0.200668  -0.061623   0.002316   0.056051
    19  H   -0.000823   0.033818  -0.145726   0.182711  -0.002662  -0.009388
    20  H    0.000100  -0.073549  -0.167862   0.299097  -0.000590  -0.040858
    21  H    0.000535   0.484603  -0.142403  -0.039162  -0.001890  -0.001413
    22  H   -0.000107  -0.168807   0.250713  -0.130445   0.000186  -0.029717
    23  H   -0.009480  -0.100069   0.087794  -0.230318   0.012658  -0.008853
    24  H   -0.103669   0.014605  -0.008102   0.021979  -0.110660  -0.000477
    25  H    0.032159   0.003671  -0.004066  -0.012351   0.403929  -0.000044
    26  H    0.032373  -0.006140   0.004827  -0.020111   0.428973   0.000646
    27  H   -0.043407   0.000794  -0.000523   0.005464  -0.249839   0.000062
              13         14         15         16         17         18
     1  C    0.036853   0.212762   0.250859  -0.163774  -0.276851   0.044004
     2  C   -0.116411   0.764320   0.049899  -0.111999   0.780140  -0.209067
     3  C    0.400190  -4.073333  -0.405347   0.056137   0.196957   0.242599
     4  C   -0.184383   1.215170  -0.220083   0.621424  -0.228101  -0.061095
     5  C   -0.005935   0.063071   0.227749  -0.121240   0.017788   0.031170
     6  C   -0.000125  -0.042185  -0.020442   0.011398  -0.014703   0.001308
     7  O    0.000000   0.000359   0.000073  -0.000117   0.000308   0.000002
     8  C    0.098550  -0.186810   0.017591   0.059526   0.012639  -0.020375
     9  C   -0.783188  -0.390997  -0.088963   0.203033  -0.222626   0.200668
    10  C    0.140833   0.205236  -0.445507  -0.811957  -0.146443  -0.061623
    11  C   -0.000829   0.033164   0.001746   0.000782  -0.000602   0.002316
    12  H   -0.746995   0.058070   0.264253  -0.269515   0.003162   0.056051
    13  H    2.922386   0.012057  -0.321280   0.187590  -0.030307  -0.072400
    14  H    0.012057   4.233318   0.163857  -0.200239   0.031111  -0.004724
    15  H   -0.321280   0.163857   3.083158  -0.757396  -0.024819   0.037104
    16  H    0.187590  -0.200239  -0.757396   2.930765  -0.024580  -0.010410
    17  H   -0.030307   0.031111  -0.024819  -0.024580   2.585563  -0.644169
    18  H   -0.072400  -0.004724   0.037104  -0.010410  -0.644169   2.443647
    19  H    0.031257   0.027662   0.009520   0.005920  -0.609921  -0.546576
    20  H    0.023067  -0.145175   0.009702   0.019849  -0.047439   0.014153
    21  H   -0.006029  -0.017780  -0.007860   0.003164   0.038336   0.013266
    22  H    0.022711   0.055280  -0.008475   0.001022   0.015985  -0.042113
    23  H    0.017382   0.092599  -0.196559   0.064537  -0.132891  -0.006835
    24  H   -0.000806  -0.214854   0.001292   0.005784  -0.019433   0.003404
    25  H   -0.000122   0.004029  -0.004160  -0.000861   0.005307   0.001049
    26  H   -0.000437   0.002347   0.000074  -0.001459   0.002357  -0.001023
    27  H   -0.000085  -0.000115   0.002410   0.000408   0.000932   0.000022
              19         20         21         22         23         24
     1  C    0.367861  -0.114070   0.050880   0.063082   0.074455   0.019091
     2  C   -0.104252   0.543644  -0.073092  -0.148614  -0.156791  -0.009214
     3  C   -0.784780  -0.447552   0.064685   0.255846  -0.272344  -0.149868
     4  C    0.376297   0.250699  -0.066927  -0.042427  -1.051087   0.791530
     5  C    0.019166  -0.060162   0.008830   0.006546  -1.580626  -2.168654
     6  C    0.008805   0.001277  -0.006379   0.002548   0.115623   0.056133
     7  O   -0.000823   0.000100   0.000535  -0.000107  -0.009480  -0.103669
     8  C    0.033818  -0.073549   0.484603  -0.168807  -0.100069   0.014605
     9  C   -0.145726  -0.167862  -0.142403   0.250713   0.087794  -0.008102
    10  C    0.182711   0.299097  -0.039162  -0.130445  -0.230318   0.021979
    11  C   -0.002662  -0.000590  -0.001890   0.000186   0.012658  -0.110660
    12  H   -0.009388  -0.040858  -0.001413  -0.029717  -0.008853  -0.000477
    13  H    0.031257   0.023067  -0.006029   0.022711   0.017382  -0.000806
    14  H    0.027662  -0.145175  -0.017780   0.055280   0.092599  -0.214854
    15  H    0.009520   0.009702  -0.007860  -0.008475  -0.196559   0.001292
    16  H    0.005920   0.019849   0.003164   0.001022   0.064537   0.005784
    17  H   -0.609921  -0.047439   0.038336   0.015985  -0.132891  -0.019433
    18  H   -0.546576   0.014153   0.013266  -0.042113  -0.006835   0.003404
    19  H    2.310737   0.030817  -0.071941   0.023464   0.062038   0.012936
    20  H    0.030817   2.210478  -0.440883  -0.520043   0.003597   0.016936
    21  H   -0.071941  -0.440883   1.790838  -0.368814  -0.015652  -0.007991
    22  H    0.023464  -0.520043  -0.368814   1.994107   0.001120  -0.001806
    23  H    0.062038   0.003597  -0.015652   0.001120   5.513827   0.301400
    24  H    0.012936   0.016936  -0.007991  -0.001806   0.301400   3.638820
    25  H   -0.004313   0.000015   0.000813  -0.000075  -0.090259  -0.031638
    26  H   -0.015854  -0.001112   0.000614   0.000167  -0.073851  -0.026511
    27  H    0.002486   0.000183  -0.000541   0.000122  -0.011801   0.008689
              25         26         27
     1  C    0.002564  -0.029277   0.001638
     2  C   -0.011565   0.036614  -0.001497
     3  C    0.025703  -0.011201   0.021296
     4  C    0.115077   0.077855  -0.069064
     5  C   -0.300677  -0.262453   0.450377
     6  C    0.058592   0.059907   0.003335
     7  O    0.032159   0.032373  -0.043407
     8  C    0.003671  -0.006140   0.000794
     9  C   -0.004066   0.004827  -0.000523
    10  C   -0.012351  -0.020111   0.005464
    11  C    0.403929   0.428973  -0.249839
    12  H   -0.000044   0.000646   0.000062
    13  H   -0.000122  -0.000437  -0.000085
    14  H    0.004029   0.002347  -0.000115
    15  H   -0.004160   0.000074   0.002410
    16  H   -0.000861  -0.001459   0.000408
    17  H    0.005307   0.002357   0.000932
    18  H    0.001049  -0.001023   0.000022
    19  H   -0.004313  -0.015854   0.002486
    20  H    0.000015  -0.001112   0.000183
    21  H    0.000813   0.000614  -0.000541
    22  H   -0.000075   0.000167   0.000122
    23  H   -0.090259  -0.073851  -0.011801
    24  H   -0.031638  -0.026511   0.008689
    25  H    1.405807  -0.154467  -0.365771
    26  H   -0.154467   1.415543  -0.376086
    27  H   -0.365771  -0.376086   2.099899
 Mulliken charges:
               1
     1  C    1.245980
     2  C   -1.507281
     3  C    1.368349
     4  C    0.956307
     5  C    1.804124
     6  C   -0.155268
     7  O   -0.570939
     8  C    1.368158
     9  C    1.675668
    10  C    1.228261
    11  C    0.828113
    12  H   -0.644080
    13  H   -0.623542
    14  H   -0.898200
    15  H   -0.618396
    16  H   -0.697794
    17  H   -0.267696
    18  H   -0.410353
    19  H   -0.209259
    20  H   -0.364318
    21  H   -0.187806
    22  H   -0.231456
    23  H   -1.409614
    24  H   -1.038914
    25  H   -0.078343
    26  H   -0.082315
    27  H   -0.479388
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.358672
     2  C   -1.507281
     3  C    0.470149
     4  C   -0.453306
     5  C    0.765210
     6  C   -0.155268
     7  O   -0.570939
     8  C    0.584577
     9  C    0.408046
    10  C   -0.087928
    11  C    0.188068
 Electronic spatial extent (au):  <R**2>=           2484.0885
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.6901    Y=             -1.4616    Z=              1.5524  Tot=              4.2618
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -84.4633   YY=            -70.4351   ZZ=            -68.7595
   XY=             -5.8421   XZ=              6.8690   YZ=              0.1099
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.9107   YY=              4.1175   ZZ=              5.7932
   XY=             -5.8421   XZ=              6.8690   YZ=              0.1099
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -62.8450  YYY=             -0.7147  ZZZ=             -4.7111  XYY=              1.7667
  XXY=            -22.0676  XXZ=             27.2645  XZZ=             -0.3136  YZZ=              0.4843
  YYZ=              1.8627  XYZ=              3.4765
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2821.9603 YYYY=           -475.8419 ZZZZ=           -430.9538 XXXY=            -96.7260
 XXXZ=             96.4051 YYYX=              6.4684 YYYZ=             -2.7617 ZZZX=              3.2863
 ZZZY=             -0.8778 XXYY=           -512.0914 XXZZ=           -492.6189 YYZZ=           -149.4706
 XXYZ=             16.5875 YYXZ=             -0.0996 ZZXY=              1.2346
 N-N= 6.080930801077D+02 E-N=-2.297589601382D+03  KE= 4.631426572797D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sun Sep 26 20:24:46 2021, MaxMem=  6442450944 cpu:               2.0 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.42079279D+00-5.59810245D-01 5.92930608D-01
 Polarizability= 1.60911171D+02 7.13297168D+00 1.05896492D+02
                -3.02958785D+00-4.33051648D+00 1.07218356D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.8356    1.8325        4.2621    4.2621
 2     -1.8356   -1.8325        2.3492    2.3483      -32.7006  -32.7082
 3     -4.2621   -4.2621       32.2141   32.2173       -2.3477   -2.3483
 4     -2.3492   -2.3483        0.0000    0.0000       -4.2660   -4.2621
 5      0.4865    0.4909        4.2660    4.2621        1.8321    1.8325
 6      2.3477    2.3483       -1.8321   -1.8325        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -5.4974   -5.4974       12.7863   12.7863
 2     -7.0449   -7.0449       -0.0000    0.0000       12.7863   12.7863
 3     -7.0449   -7.0449       -5.4974   -5.4974        0.0000    0.0000
 4     -5.4974   -5.4974        7.0449    7.0449      -98.1247  -98.1247
 5    -12.7863  -12.7863       96.6519   96.6519       -7.0449   -7.0449
 6      1.4728    1.4728       12.7863   12.7863        5.4974    5.4974
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0713    0.0000       -7.3475   -7.3298      -16.9872  -17.0484
 2      7.2818    7.3298       -9.4678   -9.3931      131.0089  130.8330
 3     17.0777   17.0484     -128.8897 -128.8692        9.4830    9.3931
 4      9.4043    9.3931       -0.0660    0.0000       17.0705   17.0484
 5     -2.0091   -1.9638      -17.1127  -17.0484       -7.3351   -7.3298
 6     -9.4254   -9.3931        7.3392    7.3298       -0.0189    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1376    0.0000      -29.6801  -29.6039      -34.1218  -34.0855
 2     29.6597   29.6039       20.3347   20.2113       21.0234   20.9746
 3     34.1945   34.0855       64.2518   64.4763      -20.1699  -20.2113
 4    -20.3149  -20.2113       -0.0479    0.0000       34.0944   34.0855
 5    -85.6998  -85.4509      -34.1581  -34.0855      -29.7718  -29.6039
 6     20.2539   20.2113       29.6568   29.6039       -0.0047    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -36.4766  -36.4272      -40.3578  -40.2711      -10.4216  -10.4216
 2    -50.4414  -50.1974      -65.7047  -65.5647      -10.4578  -10.4216
 3    -50.4388  -50.1974      -40.3590  -40.2711        0.0557    0.1269
 4     25.2088   25.2936       14.1010   13.7702       43.4784   43.7345
 5     10.5980   10.5485       58.7722   59.2899      -13.2186  -13.7702
 6   -103.3328 -103.0243      -10.5449  -10.5485      -25.3474  -25.2936
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0003    0.0001    0.0008    2.3280    3.9918    9.0403
 Low frequencies ---   34.0682   64.4603   81.0821
 Diagonal vibrational polarizability:
       18.5500352      56.4003859      26.6129305
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     34.0659                64.4602                81.0789
 Red. masses --      4.0708                 3.1521                 2.9689
 Frc consts  --      0.0028                 0.0077                 0.0115
 IR Inten    --      3.2274                 0.4045                 1.5043
 RamAct Fr= 1--      2.8144                 1.1765                 0.3660
  Dep-P Fr= 1--      0.7277                 0.7194                 0.4707
  Dep-U Fr= 1--      0.8424                 0.8368                 0.6401
 Alpha2 Fr= 1--      0.0011                 0.0006                 0.0021
 Beta2  Fr= 1--      0.3951                 0.1641                 0.0390
 AlphaG Fr= 1--     -0.0020                 0.0012                 0.0052
 Gamma2 Fr= 1--     -0.0871                 0.1878                 0.1410
 Delta2 Fr= 1--      0.0067                -0.0570                 0.0284
 Raman1 Fr= 1--      11.258                  4.706                  1.464
 ROA1   Fr= 1--      -8.151                 16.205                 14.441
 CID1   Fr= 1--      -0.724                  3.443                  9.863
 Raman2 Fr= 1--       4.742                  1.969                  0.469
 ROA2   Fr= 1--      -2.145                  4.963                  3.156
 CID2   Fr= 1--      -0.452                  2.520                  6.736
 Raman3 Fr= 1--       9.483                  3.938                  0.937
 ROA3   Fr= 1--      -8.151                 16.205                 14.441
 CID3   Fr= 1--      -0.860                  4.115                 15.409
 RC180  Fr= 1--       0.685                  0.674                  0.280
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10   0.09  -0.03     0.05  -0.12  -0.00     0.22   0.04  -0.01
     2   6     0.05   0.01  -0.03     0.06  -0.02   0.00     0.04  -0.01   0.01
     3   6    -0.01  -0.10  -0.03    -0.01  -0.09  -0.03    -0.02   0.03  -0.10
     4   6    -0.01  -0.12  -0.05    -0.01  -0.12  -0.05    -0.01   0.01  -0.13
     5   6    -0.04   0.00   0.02    -0.03  -0.07  -0.03     0.01   0.03  -0.07
     6   6    -0.04   0.04   0.03    -0.04   0.04   0.00    -0.03  -0.01   0.03
     7   8    -0.09   0.25   0.16    -0.05   0.02  -0.03     0.04  -0.06   0.09
     8   6     0.12   0.01  -0.11     0.21   0.04   0.08    -0.08  -0.04   0.02
     9   6    -0.03   0.03   0.07    -0.04   0.09  -0.04     0.02  -0.05   0.14
    10   6    -0.08  -0.06   0.07    -0.11  -0.02  -0.02    -0.00   0.02  -0.08
    11   6     0.02  -0.18  -0.11    -0.05   0.21   0.11    -0.17   0.03   0.08
    12   1    -0.04   0.01   0.08     0.02   0.16  -0.05    -0.15  -0.07   0.25
    13   1    -0.02   0.11   0.12    -0.11   0.15  -0.07     0.17  -0.11   0.25
    14   1    -0.02  -0.15  -0.05    -0.01  -0.09  -0.03    -0.06   0.07  -0.09
    15   1    -0.10  -0.03   0.10    -0.18  -0.04  -0.01     0.12  -0.03  -0.17
    16   1    -0.15  -0.11   0.10    -0.15  -0.03  -0.02    -0.12   0.09  -0.11
    17   1     0.05   0.10   0.03    -0.04  -0.15  -0.06     0.29   0.06  -0.01
    18   1     0.14   0.18  -0.01     0.08  -0.06   0.01     0.27   0.03   0.08
    19   1     0.15   0.06  -0.10     0.11  -0.21   0.03     0.24   0.08  -0.13
    20   1     0.08  -0.05  -0.10     0.20   0.11   0.08    -0.21  -0.07   0.04
    21   1     0.17  -0.03  -0.18     0.30  -0.07   0.09    -0.09   0.01  -0.10
    22   1     0.16   0.09  -0.09     0.26   0.12   0.11    -0.04  -0.07   0.11
    23   1     0.02  -0.22  -0.11     0.00  -0.12  -0.05    -0.02  -0.03  -0.16
    24   1    -0.07   0.11   0.09    -0.04  -0.08  -0.04     0.06   0.07  -0.05
    25   1     0.11  -0.18  -0.31    -0.05   0.20   0.26    -0.23   0.04   0.12
    26   1    -0.03  -0.38  -0.03    -0.05   0.33   0.04    -0.19   0.11   0.02
    27   1     0.01  -0.13  -0.09    -0.05   0.24   0.10    -0.18  -0.02   0.14
                      4                      5                      6
                      A                      A                      A
 Frequencies --    124.2661               147.2191               161.0704
 Red. masses --      1.0300                 3.3943                 2.8014
 Frc consts  --      0.0094                 0.0433                 0.0428
 IR Inten    --      0.0338                 1.4184                 2.0693
 RamAct Fr= 1--      0.0754                 0.8420                 0.5090
  Dep-P Fr= 1--      0.6932                 0.6767                 0.4450
  Dep-U Fr= 1--      0.8188                 0.8071                 0.6159
 Alpha2 Fr= 1--      0.0001                 0.0011                 0.0032
 Beta2  Fr= 1--      0.0103                 0.1133                 0.0522
 AlphaG Fr= 1--     -0.0005                -0.0412                -0.0199
 Gamma2 Fr= 1--     -0.0449                 0.1186                -0.5013
 Delta2 Fr= 1--     -0.0074                 0.1983                -0.2813
 Raman1 Fr= 1--       0.301                  3.368                  2.036
 ROA1   Fr= 1--      -4.544                 17.735                -57.127
 CID1   Fr= 1--     -15.076                  5.266                -28.061
 Raman2 Fr= 1--       0.123                  1.359                  0.627
 ROA2   Fr= 1--      -1.017                  1.261                 -9.780
 CID2   Fr= 1--      -8.244                  0.928                -15.599
 Raman3 Fr= 1--       0.247                  2.718                  1.254
 ROA3   Fr= 1--      -4.544                 17.735                -57.127
 CID3   Fr= 1--     -18.412                  6.524                -45.557
 RC180  Fr= 1--       0.638                  0.614                  0.232
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.03   0.01  -0.02    -0.03  -0.08  -0.02
     2   6     0.00   0.00   0.00     0.01  -0.02  -0.01     0.00  -0.00  -0.02
     3   6    -0.00   0.00  -0.00    -0.00  -0.04  -0.01    -0.00  -0.02  -0.00
     4   6    -0.00   0.01  -0.00    -0.01  -0.05   0.02     0.02   0.11  -0.07
     5   6     0.00  -0.00  -0.01    -0.08   0.29   0.23    -0.00   0.16  -0.07
     6   6    -0.00   0.01   0.00    -0.02   0.06   0.05    -0.03   0.04  -0.03
     7   8     0.01  -0.03  -0.01    -0.00  -0.14  -0.12     0.07  -0.05   0.03
     8   6     0.00   0.00   0.01     0.05  -0.03  -0.06     0.07   0.02   0.04
     9   6     0.00   0.00   0.00    -0.01  -0.02   0.01     0.02  -0.00  -0.05
    10   6    -0.00   0.00   0.00    -0.03  -0.02  -0.05     0.06  -0.07   0.20
    11   6    -0.01   0.01   0.01     0.04   0.01   0.00    -0.18  -0.05  -0.04
    12   1     0.00   0.00   0.00    -0.05  -0.01   0.04     0.19  -0.05  -0.18
    13   1    -0.00   0.00   0.00     0.02  -0.03   0.04    -0.12   0.10  -0.12
    14   1    -0.00   0.00  -0.00     0.03  -0.01   0.01    -0.11  -0.13  -0.06
    15   1     0.00   0.00   0.00    -0.03  -0.06  -0.09     0.03   0.12   0.39
    16   1    -0.00  -0.00   0.00    -0.06   0.03  -0.08     0.13  -0.30   0.32
    17   1     0.00  -0.00  -0.00     0.00   0.01   0.01    -0.04  -0.09  -0.05
    18   1     0.00  -0.01   0.00     0.06   0.06  -0.00    -0.04  -0.09  -0.03
    19   1     0.00  -0.00   0.00     0.07  -0.01  -0.06    -0.03  -0.10   0.03
    20   1    -0.00   0.01   0.01     0.01  -0.07  -0.06     0.08   0.08   0.04
    21   1     0.00   0.00   0.01     0.10  -0.06  -0.13     0.11  -0.03   0.06
    22   1     0.00   0.00   0.01     0.09   0.04  -0.04     0.09   0.05   0.05
    23   1    -0.00   0.03   0.01     0.04  -0.37  -0.18     0.08   0.11  -0.08
    24   1     0.01  -0.03  -0.02    -0.15   0.56   0.41     0.01   0.17  -0.06
    25   1     0.52  -0.11  -0.23     0.05   0.01  -0.05    -0.27  -0.01  -0.11
    26   1    -0.43  -0.39  -0.09     0.07  -0.06   0.05    -0.18  -0.03  -0.06
    27   1    -0.10   0.46   0.30     0.05  -0.01  -0.05    -0.19  -0.16   0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    221.2189               245.1834               271.8350
 Red. masses --      1.3396                 1.7003                 2.6112
 Frc consts  --      0.0386                 0.0602                 0.1137
 IR Inten    --      0.0594                 0.6904                 0.6248
 RamAct Fr= 1--      0.5902                 0.7412                 4.1421
  Dep-P Fr= 1--      0.5492                 0.5349                 0.1583
  Dep-U Fr= 1--      0.7090                 0.6970                 0.2733
 Alpha2 Fr= 1--      0.0023                 0.0031                 0.0627
 Beta2  Fr= 1--      0.0697                 0.0861                 0.1887
 AlphaG Fr= 1--      0.0005                 0.0114                 0.0042
 Gamma2 Fr= 1--     -0.5307                 0.1047                 0.8537
 Delta2 Fr= 1--     -0.0306                 0.2693                -0.0431
 Raman1 Fr= 1--       2.361                  2.965                 16.568
 ROA1   Fr= 1--     -51.929                 18.669                 80.575
 CID1   Fr= 1--     -21.998                  6.297                  4.863
 Raman2 Fr= 1--       0.837                  1.033                  2.264
 ROA2   Fr= 1--     -12.493                  0.358                 20.833
 CID2   Fr= 1--     -14.928                  0.347                  9.202
 Raman3 Fr= 1--       1.674                  2.066                  4.528
 ROA3   Fr= 1--     -51.929                 18.669                 80.575
 CID3   Fr= 1--     -31.025                  9.035                 17.796
 RC180  Fr= 1--       0.418                  0.394                 -0.453
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.00  -0.03    -0.08   0.05   0.08     0.16  -0.02  -0.06
     2   6     0.01   0.02  -0.02     0.03  -0.02   0.06     0.02  -0.01  -0.04
     3   6    -0.00  -0.02  -0.02     0.03  -0.00   0.05     0.02   0.04   0.02
     4   6     0.01  -0.05  -0.03     0.03  -0.01   0.00    -0.07   0.11   0.17
     5   6     0.01   0.00   0.02    -0.01   0.02  -0.04    -0.07  -0.04   0.05
     6   6     0.02  -0.00   0.01    -0.02   0.01  -0.04    -0.09  -0.00   0.02
     7   8     0.01  -0.00   0.00     0.00   0.01  -0.00    -0.13  -0.00  -0.05
     8   6    -0.10   0.01   0.03     0.10  -0.03  -0.04     0.05   0.01  -0.00
     9   6    -0.01   0.05  -0.03     0.03  -0.03   0.05     0.05  -0.04  -0.05
    10   6    -0.03  -0.01   0.05     0.03   0.01  -0.07     0.09  -0.00  -0.02
    11   6     0.04   0.01   0.01    -0.11   0.00  -0.03    -0.05  -0.03  -0.01
    12   1     0.06   0.06  -0.07    -0.05  -0.01   0.11     0.08  -0.05  -0.08
    13   1    -0.08   0.10  -0.05     0.11  -0.09   0.08     0.03  -0.05  -0.08
    14   1    -0.00  -0.06  -0.04     0.02   0.07   0.08     0.09   0.01   0.01
    15   1    -0.06   0.05   0.12     0.04  -0.09  -0.18     0.10   0.00  -0.02
    16   1    -0.03  -0.09   0.09    -0.00   0.14  -0.14     0.15   0.01  -0.03
    17   1    -0.04  -0.03  -0.04    -0.21   0.04   0.16    -0.11  -0.08  -0.06
    18   1     0.13   0.11   0.02    -0.10   0.17  -0.01     0.34   0.28   0.07
    19   1     0.16  -0.10  -0.09    -0.05  -0.01   0.11     0.40  -0.27  -0.21
    20   1     0.31   0.12  -0.03     0.54  -0.02  -0.12     0.13   0.05  -0.01
    21   1    -0.36   0.16   0.47    -0.05   0.01   0.32     0.05  -0.02   0.08
    22   1    -0.39  -0.28  -0.28    -0.15  -0.10  -0.41     0.02   0.01  -0.05
    23   1     0.01  -0.11  -0.07     0.06  -0.02  -0.01    -0.13   0.30   0.29
    24   1     0.01   0.06   0.05    -0.05   0.02  -0.03    -0.07  -0.22  -0.06
    25   1     0.05   0.00   0.03    -0.13   0.01  -0.05    -0.07  -0.03  -0.04
    26   1     0.04   0.01   0.02    -0.14   0.01  -0.06    -0.02  -0.06   0.03
    27   1     0.04   0.03   0.00    -0.12  -0.03   0.03    -0.04  -0.06  -0.04
                     10                     11                     12
                      A                      A                      A
 Frequencies --    290.3689               315.3975               351.5791
 Red. masses --      1.1987                 2.1583                 2.4524
 Frc consts  --      0.0595                 0.1265                 0.1786
 IR Inten    --      0.0608                 0.1001                 0.3846
 RamAct Fr= 1--      1.6281                 1.6172                 1.3096
  Dep-P Fr= 1--      0.1460                 0.4394                 0.7493
  Dep-U Fr= 1--      0.2548                 0.6105                 0.8567
 Alpha2 Fr= 1--      0.0254                 0.0103                 0.0000
 Beta2  Fr= 1--      0.0692                 0.1646                 0.1870
 AlphaG Fr= 1--     -0.0277                 0.0249                 0.0002
 Gamma2 Fr= 1--      0.0333                 0.0988                -0.8293
 Delta2 Fr= 1--      0.0628                 0.1238                -0.1717
 Raman1 Fr= 1--       6.512                  6.469                  5.238
 ROA1   Fr= 1--       5.209                 13.449                -85.104
 CID1   Fr= 1--       0.800                  2.079                -16.246
 Raman2 Fr= 1--       0.830                  1.975                  2.244
 ROA2   Fr= 1--       0.298                  1.381                -18.529
 CID2   Fr= 1--       0.359                  0.699                 -8.258
 Raman3 Fr= 1--       1.660                  3.949                  4.487
 ROA3   Fr= 1--       5.209                 13.449                -85.104
 CID3   Fr= 1--       3.138                  3.405                -18.965
 RC180  Fr= 1--      -0.490                  0.221                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.01  -0.01     0.00  -0.11  -0.06    -0.08   0.12  -0.05
     2   6     0.03   0.01  -0.01    -0.03  -0.00  -0.04    -0.02  -0.00  -0.06
     3   6     0.02  -0.01   0.01    -0.06   0.01  -0.05    -0.03   0.03  -0.11
     4   6    -0.01  -0.02   0.04    -0.05   0.15   0.00    -0.05  -0.02  -0.10
     5   6    -0.03  -0.01   0.02     0.02   0.03  -0.00    -0.01  -0.01   0.00
     6   6    -0.04  -0.00   0.00     0.02   0.02   0.04    -0.03  -0.04   0.03
     7   8    -0.05  -0.00  -0.02     0.04  -0.02   0.02    -0.07  -0.01   0.00
     8   6     0.01   0.01   0.01     0.08   0.02  -0.06     0.07   0.08   0.15
     9   6     0.03   0.02  -0.02    -0.07  -0.03   0.12     0.04  -0.13   0.02
    10   6     0.03  -0.00   0.00    -0.08  -0.01   0.01     0.10  -0.04   0.01
    11   6    -0.04  -0.01  -0.00     0.10  -0.01   0.01     0.07  -0.00   0.04
    12   1     0.06   0.03  -0.04    -0.24  -0.13   0.20    -0.05  -0.26   0.03
    13   1     0.01   0.03  -0.04     0.08  -0.02   0.27     0.14  -0.15   0.10
    14   1     0.05  -0.01   0.00    -0.09  -0.03  -0.08    -0.07   0.01  -0.11
    15   1     0.01   0.00   0.01    -0.01  -0.04  -0.04     0.23   0.06   0.05
    16   1     0.04  -0.01   0.00    -0.16   0.03  -0.01     0.09  -0.12   0.05
    17   1     0.58   0.12  -0.08     0.13  -0.12  -0.19    -0.12   0.15   0.11
    18   1    -0.14  -0.51  -0.01    -0.04  -0.31  -0.02    -0.12   0.21  -0.16
    19   1    -0.31   0.43   0.06    -0.08  -0.05   0.03    -0.10   0.15  -0.07
    20   1     0.12   0.05  -0.01     0.36   0.05  -0.11     0.13   0.37   0.16
    21   1    -0.05   0.04   0.12     0.05  -0.03   0.16     0.13  -0.07   0.35
    22   1    -0.06  -0.06  -0.07    -0.04   0.05  -0.28     0.09   0.06   0.20
    23   1    -0.01  -0.02   0.03    -0.10   0.32   0.11    -0.10  -0.10  -0.14
    24   1    -0.05  -0.02   0.02     0.11  -0.11  -0.10     0.05   0.07   0.04
    25   1    -0.04  -0.01  -0.01     0.10  -0.01  -0.00     0.12  -0.02   0.10
    26   1    -0.04  -0.01  -0.00     0.16  -0.05   0.07     0.11  -0.01   0.07
    27   1    -0.04  -0.01   0.00     0.12  -0.00  -0.07     0.08   0.07  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    372.0731               408.6510               454.2721
 Red. masses --      2.5053                 2.3769                 2.4725
 Frc consts  --      0.2043                 0.2339                 0.3006
 IR Inten    --      0.2199                 0.2040                 0.0456
 RamAct Fr= 1--      2.4958                 0.6770                 1.8704
  Dep-P Fr= 1--      0.2750                 0.7223                 0.4437
  Dep-U Fr= 1--      0.4314                 0.8387                 0.6147
 Alpha2 Fr= 1--      0.0275                 0.0003                 0.0118
 Beta2  Fr= 1--      0.1795                 0.0946                 0.1916
 AlphaG Fr= 1--      0.0327                -0.0089                -0.0548
 Gamma2 Fr= 1--      0.3071                 0.1588                -0.4455
 Delta2 Fr= 1--      0.2374                 0.1798                -0.1331
 Raman1 Fr= 1--       9.983                  2.708                  7.481
 ROA1   Fr= 1--      37.076                 21.003                -47.030
 CID1   Fr= 1--       3.714                  7.756                 -6.286
 Raman2 Fr= 1--       2.153                  1.136                  2.299
 ROA2   Fr= 1--       5.470                  2.374                 -9.627
 CID2   Fr= 1--       2.540                  2.090                 -4.187
 Raman3 Fr= 1--       4.307                  2.271                  4.599
 ROA3   Fr= 1--      37.076                 21.003                -47.030
 CID3   Fr= 1--       8.608                  9.247                -10.226
 RC180  Fr= 1--      -0.137                  0.677                  0.229
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.15   0.02    -0.05   0.00  -0.12    -0.05   0.01   0.06
     2   6    -0.05  -0.09   0.02     0.04   0.04  -0.11     0.18  -0.01   0.00
     3   6    -0.04  -0.09   0.02     0.07  -0.09   0.00     0.05  -0.07  -0.11
     4   6    -0.01   0.09   0.04     0.05  -0.04   0.13    -0.01   0.08  -0.05
     5   6     0.01   0.04  -0.02     0.02  -0.02   0.06    -0.01   0.05  -0.03
     6   6     0.04   0.06   0.01     0.05   0.07  -0.02    -0.08   0.05   0.08
     7   8     0.09  -0.02   0.03     0.07   0.02  -0.04    -0.09  -0.05  -0.01
     8   6     0.03  -0.06   0.10    -0.05   0.08   0.07    -0.02  -0.07   0.02
     9   6    -0.08  -0.02  -0.11     0.01   0.00   0.08     0.10   0.11   0.03
    10   6    -0.10  -0.09  -0.08    -0.04  -0.05  -0.02    -0.03  -0.04  -0.02
    11   6     0.02   0.00  -0.02    -0.09   0.00  -0.05     0.04  -0.03   0.03
    12   1     0.04   0.11  -0.14    -0.19  -0.14   0.16     0.14   0.20   0.04
    13   1    -0.20  -0.04  -0.23     0.18   0.07   0.28     0.03   0.20   0.03
    14   1    -0.06  -0.09   0.02     0.20  -0.18  -0.04     0.00  -0.10  -0.12
    15   1    -0.21  -0.15  -0.09    -0.07  -0.18  -0.13    -0.04  -0.05  -0.03
    16   1    -0.07  -0.02  -0.11    -0.14   0.08  -0.08    -0.15  -0.05  -0.01
    17   1     0.21   0.25   0.25    -0.14  -0.02  -0.14    -0.21   0.00   0.15
    18   1     0.08   0.20   0.04    -0.10   0.02  -0.21    -0.19   0.08  -0.21
    19   1     0.01   0.33  -0.22    -0.06  -0.05  -0.02    -0.11  -0.02   0.27
    20   1     0.06   0.06   0.11    -0.19   0.27   0.11    -0.19  -0.14   0.04
    21   1     0.07  -0.14   0.19    -0.07   0.10   0.11    -0.15   0.12  -0.09
    22   1     0.04  -0.06   0.12    -0.00  -0.08   0.25    -0.05  -0.27   0.11
    23   1     0.00   0.28   0.15     0.03   0.06   0.18    -0.05   0.31   0.10
    24   1     0.04  -0.13  -0.12    -0.08  -0.13   0.00     0.12  -0.15  -0.16
    25   1    -0.01   0.02  -0.09    -0.20   0.04  -0.16     0.06  -0.02  -0.05
    26   1     0.05  -0.04   0.01    -0.15  -0.00  -0.09     0.16  -0.14   0.17
    27   1     0.03  -0.05  -0.04    -0.12  -0.14   0.09     0.08  -0.03  -0.13
                     16                     17                     18
                      A                      A                      A
 Frequencies --    527.9901               575.3754               585.9863
 Red. masses --      2.7784                 3.2269                 2.8023
 Frc consts  --      0.4563                 0.6294                 0.5669
 IR Inten    --     10.2516                10.1770                 3.5327
 RamAct Fr= 1--      4.2052                 1.3162                 3.5609
  Dep-P Fr= 1--      0.2905                 0.6970                 0.0547
  Dep-U Fr= 1--      0.4503                 0.8214                 0.1037
 Alpha2 Fr= 1--      0.0444                 0.0012                 0.0696
 Beta2  Fr= 1--      0.3156                 0.1802                 0.0616
 AlphaG Fr= 1--     -0.0041                -0.0207                -0.2416
 Gamma2 Fr= 1--      0.4808                -1.0324                 0.4217
 Delta2 Fr= 1--     -0.0732                 0.0434                 0.0050
 Raman1 Fr= 1--      16.821                  5.265                 14.244
 ROA1   Fr= 1--      43.818                -97.723                 40.645
 CID1   Fr= 1--       2.605                -18.561                  2.854
 Raman2 Fr= 1--       3.787                  2.162                  0.739
 ROA2   Fr= 1--      12.126                -25.126                 10.081
 CID2   Fr= 1--       3.202                -11.620                 13.649
 Raman3 Fr= 1--       7.574                  4.325                  1.477
 ROA3   Fr= 1--      43.818                -97.723                 40.645
 CID3   Fr= 1--       5.785                -22.596                 27.514
 RC180  Fr= 1--      -0.099                  0.643                 -0.793
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.04     0.01  -0.01   0.05     0.01  -0.01   0.05
     2   6    -0.00   0.05  -0.02     0.01   0.02   0.03    -0.09   0.06   0.04
     3   6     0.03  -0.06   0.13    -0.04   0.04  -0.11     0.00  -0.05   0.08
     4   6     0.05  -0.01   0.03    -0.12  -0.13   0.02     0.09  -0.05  -0.09
     5   6    -0.10   0.07  -0.14    -0.11  -0.11   0.04     0.07  -0.02  -0.08
     6   6    -0.15  -0.04  -0.06    -0.04   0.20   0.04    -0.02   0.17   0.15
     7   8     0.01  -0.09   0.17     0.16  -0.08   0.07    -0.06  -0.03  -0.10
     8   6    -0.03   0.08  -0.01     0.00   0.01  -0.01    -0.04   0.14  -0.03
     9   6     0.03  -0.01  -0.00     0.04  -0.01  -0.00    -0.01  -0.06  -0.03
    10   6     0.02  -0.04  -0.01     0.05   0.04  -0.00     0.02  -0.04  -0.01
    11   6     0.06   0.05  -0.06     0.00   0.10  -0.13    -0.01  -0.03   0.09
    12   1    -0.01  -0.07  -0.00     0.07   0.01  -0.02     0.00  -0.11  -0.05
    13   1     0.06   0.01   0.04     0.01  -0.05  -0.05    -0.01  -0.10  -0.06
    14   1     0.07  -0.11   0.11     0.00   0.11  -0.07    -0.05  -0.06   0.07
    15   1    -0.06  -0.24  -0.17     0.18   0.22   0.12    -0.03  -0.18  -0.12
    16   1     0.04   0.19  -0.14     0.06  -0.15   0.10     0.05   0.12  -0.10
    17   1     0.01  -0.03  -0.13    -0.01  -0.01   0.05     0.06  -0.04  -0.10
    18   1     0.03  -0.04   0.03    -0.01  -0.02   0.02     0.10  -0.06   0.23
    19   1     0.03  -0.05  -0.03    -0.01  -0.01   0.11     0.07  -0.06  -0.02
    20   1    -0.07   0.11   0.00     0.03  -0.04  -0.02     0.01   0.11  -0.04
    21   1    -0.04   0.10  -0.01     0.00   0.02  -0.03     0.01   0.09  -0.04
    22   1    -0.02   0.04   0.04    -0.01   0.05  -0.05    -0.03   0.25  -0.08
    23   1     0.27  -0.02  -0.00    -0.31  -0.05   0.09     0.18   0.05  -0.04
    24   1    -0.19   0.11  -0.10    -0.24  -0.30  -0.06     0.20  -0.14  -0.16
    25   1     0.29  -0.03   0.16    -0.04   0.14  -0.44    -0.11   0.03  -0.33
    26   1     0.24   0.04   0.07     0.14  -0.17   0.10     0.11  -0.34   0.32
    27   1     0.12   0.33  -0.41     0.05  -0.04  -0.30     0.03  -0.28  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    618.6316               732.5006               796.9197
 Red. masses --      2.8782                 1.9296                 2.3502
 Frc consts  --      0.6490                 0.6100                 0.8794
 IR Inten    --      0.7427                 0.5621                 1.6301
 RamAct Fr= 1--      4.0184                11.2097                22.2819
  Dep-P Fr= 1--      0.1029                 0.0325                 0.5692
  Dep-U Fr= 1--      0.1866                 0.0629                 0.7254
 Alpha2 Fr= 1--      0.0699                 0.2308                 0.0761
 Beta2  Fr= 1--      0.1250                 0.1175                 2.6941
 AlphaG Fr= 1--      0.1890                 0.3997                 0.1065
 Gamma2 Fr= 1--     -0.9020                 0.9301                 5.6176
 Delta2 Fr= 1--     -0.3316                -0.4965                -1.1446
 Raman1 Fr= 1--      16.074                 44.839                 89.127
 ROA1   Fr= 1--     -97.201                 73.406                502.664
 CID1   Fr= 1--      -6.047                  1.637                  5.640
 Raman2 Fr= 1--       1.499                  1.410                 32.329
 ROA2   Fr= 1--     -18.995                 26.295                143.979
 CID2   Fr= 1--     -12.668                 18.655                  4.454
 Raman3 Fr= 1--       2.999                  2.819                 64.657
 ROA3   Fr= 1--     -97.201                 73.406                502.664
 CID3   Fr= 1--     -32.413                 26.039                  7.774
 RC180  Fr= 1--      -0.627                 -0.874                  0.451
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.13     0.02  -0.01   0.13     0.02   0.00  -0.00
     2   6    -0.02  -0.08  -0.05     0.00   0.01   0.00     0.11   0.02  -0.02
     3   6     0.09   0.07   0.06     0.09  -0.06  -0.10    -0.10  -0.02   0.11
     4   6     0.11  -0.05   0.01     0.07  -0.01   0.04    -0.10   0.00  -0.01
     5   6     0.03  -0.01  -0.08     0.02   0.05   0.02    -0.12   0.00  -0.09
     6   6    -0.08   0.08   0.06    -0.02  -0.04  -0.02     0.05   0.05  -0.04
     7   8    -0.04  -0.05  -0.00    -0.03  -0.00   0.02     0.07   0.04  -0.04
     8   6     0.04  -0.17   0.04    -0.02   0.09  -0.02     0.04   0.01  -0.01
     9   6    -0.12   0.04   0.01    -0.08  -0.06  -0.07    -0.02   0.01  -0.07
    10   6    -0.01   0.18   0.05    -0.04   0.03  -0.06     0.04   0.00  -0.03
    11   6    -0.01   0.01   0.01    -0.01  -0.00  -0.03     0.04  -0.08   0.14
    12   1    -0.31   0.01   0.13    -0.38  -0.05   0.13    -0.35  -0.01   0.14
    13   1     0.09  -0.04   0.15     0.21  -0.28   0.07     0.30  -0.12   0.15
    14   1     0.17   0.15   0.09     0.18  -0.02  -0.07    -0.16  -0.04   0.10
    15   1    -0.08   0.33   0.21    -0.16   0.33   0.27    -0.19   0.11   0.15
    16   1     0.12  -0.02   0.15     0.11  -0.38   0.16     0.38  -0.11   0.02
    17   1     0.02   0.05  -0.01     0.02  -0.01   0.14    -0.02  -0.01   0.01
    18   1    -0.01   0.07  -0.14     0.02  -0.01   0.14    -0.04  -0.00  -0.10
    19   1    -0.02   0.07  -0.26     0.02  -0.01   0.15    -0.01  -0.01   0.11
    20   1     0.03  -0.08   0.06    -0.03   0.08  -0.02    -0.10  -0.02   0.02
    21   1     0.07  -0.24   0.10    -0.04   0.12  -0.04    -0.12   0.21  -0.04
    22   1     0.06  -0.20   0.10    -0.03   0.08  -0.03    -0.02  -0.24   0.07
    23   1     0.22  -0.06  -0.01     0.06   0.15   0.13    -0.01  -0.06  -0.05
    24   1     0.01  -0.02  -0.08     0.03  -0.09  -0.06    -0.25   0.06  -0.05
    25   1     0.02   0.02  -0.15     0.04  -0.03   0.12     0.01  -0.07   0.09
    26   1     0.12  -0.17   0.19    -0.01   0.09  -0.07     0.03  -0.11   0.16
    27   1     0.03  -0.03  -0.17    -0.01   0.10  -0.05     0.03  -0.15   0.21
                     22                     23                     24
                      A                      A                      A
 Frequencies --    827.1019               863.7208               881.4980
 Red. masses --      2.4044                 1.9938                 1.9120
 Frc consts  --      0.9691                 0.8763                 0.8753
 IR Inten    --      2.3576                 0.2826                 0.3329
 RamAct Fr= 1--     16.0636                 4.8106                 5.9447
  Dep-P Fr= 1--      0.1302                 0.3405                 0.7473
  Dep-U Fr= 1--      0.2304                 0.5080                 0.8554
 Alpha2 Fr= 1--      0.2610                 0.0435                 0.0003
 Beta2  Fr= 1--      0.6168                 0.4073                 0.8475
 AlphaG Fr= 1--      0.4202                -0.3868                 0.0333
 Gamma2 Fr= 1--     -1.4676                 1.0352                -1.2820
 Delta2 Fr= 1--      1.6725                -1.3317                 1.1272
 Raman1 Fr= 1--      64.254                 19.243                 23.779
 ROA1   Fr= 1--     -87.369                 56.767                -87.005
 CID1   Fr= 1--      -1.360                  2.950                 -3.659
 Raman2 Fr= 1--       7.402                  4.888                 10.170
 ROA2   Fr= 1--     -48.602                 35.499                -39.786
 CID2   Fr= 1--      -6.566                  7.263                 -3.912
 Raman3 Fr= 1--      14.804                  9.775                 20.340
 ROA3   Fr= 1--     -87.369                 56.767                -87.005
 CID3   Fr= 1--      -5.902                  5.807                 -4.277
 RC180  Fr= 1--      -0.539                  0.016                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.00     0.04  -0.01   0.04    -0.04   0.00  -0.02
     2   6    -0.09  -0.01   0.02     0.08  -0.02  -0.04    -0.09  -0.01   0.02
     3   6     0.07  -0.02  -0.10     0.03   0.11  -0.03     0.00   0.00  -0.01
     4   6     0.02  -0.08   0.05     0.03   0.08   0.11    -0.00   0.06   0.05
     5   6    -0.12   0.09  -0.07     0.02  -0.08  -0.09     0.01  -0.06  -0.04
     6   6     0.00   0.04  -0.09    -0.02   0.02  -0.02    -0.00   0.00  -0.00
     7   8     0.06   0.04  -0.04     0.01   0.00  -0.01     0.00  -0.00  -0.00
     8   6    -0.04  -0.01   0.01     0.01   0.04  -0.02    -0.04  -0.02   0.01
     9   6     0.04   0.00   0.07    -0.05  -0.10   0.01     0.15   0.11   0.01
    10   6    -0.00   0.05   0.00    -0.09  -0.05   0.00    -0.02  -0.11  -0.09
    11   6     0.02  -0.11   0.15    -0.02   0.01   0.05    -0.01   0.02   0.02
    12   1     0.28   0.05  -0.08     0.16  -0.09  -0.13    -0.09   0.21   0.21
    13   1    -0.19   0.05  -0.12    -0.25  -0.03  -0.13     0.33   0.08   0.16
    14   1     0.23   0.04  -0.06     0.17   0.15  -0.01     0.01   0.11   0.04
    15   1     0.22   0.09  -0.05     0.10   0.01  -0.02    -0.16   0.13   0.20
    16   1    -0.26  -0.00   0.04    -0.30  -0.11   0.04    -0.04  -0.45   0.09
    17   1     0.01  -0.00  -0.02    -0.05  -0.00   0.14     0.06   0.01  -0.08
    18   1     0.03  -0.00   0.08    -0.08   0.01  -0.17     0.08  -0.00   0.18
    19   1     0.01   0.00  -0.08    -0.04   0.01   0.21     0.03  -0.01  -0.20
    20   1     0.09   0.02  -0.01    -0.04   0.09  -0.01     0.09  -0.00  -0.01
    21   1     0.11  -0.19   0.04    -0.05   0.11  -0.01     0.11  -0.22   0.04
    22   1     0.01   0.21  -0.05    -0.00  -0.06   0.02     0.01   0.24  -0.06
    23   1     0.05   0.15   0.18     0.12  -0.33  -0.15     0.06  -0.19  -0.11
    24   1    -0.32  -0.19  -0.22    -0.18   0.40   0.22    -0.06   0.23   0.14
    25   1     0.11  -0.16   0.32     0.03   0.01  -0.11    -0.00   0.02  -0.09
    26   1     0.07  -0.04   0.16     0.08  -0.16   0.21     0.03  -0.08   0.09
    27   1     0.02  -0.01   0.13     0.02  -0.06  -0.08     0.01  -0.04  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --    913.0893               952.1969               963.7852
 Red. masses --      1.9413                 1.9210                 1.5680
 Frc consts  --      0.9536                 1.0262                 0.8581
 IR Inten    --      1.1701                 1.7604                 1.2755
 RamAct Fr= 1--     26.0973                 4.2150                 2.6735
  Dep-P Fr= 1--      0.3624                 0.6138                 0.7500
  Dep-U Fr= 1--      0.5320                 0.7607                 0.8571
 Alpha2 Fr= 1--      0.2200                 0.0105                 0.0000
 Beta2  Fr= 1--      2.3140                 0.5344                 0.3819
 AlphaG Fr= 1--     -0.5044                 0.0033                -0.0007
 Gamma2 Fr= 1--     -0.9247                -1.3210                -1.5776
 Delta2 Fr= 1--     -0.7816                -1.3446                -0.0893
 Raman1 Fr= 1--     104.389                 16.860                 10.694
 ROA1   Fr= 1--    -113.784               -169.848               -154.310
 CID1   Fr= 1--      -1.090                -10.074                -14.429
 Raman2 Fr= 1--      27.768                  6.413                  4.583
 ROA2   Fr= 1--     -15.940                -20.948                -37.149
 CID2   Fr= 1--      -0.574                 -3.267                 -8.106
 Raman3 Fr= 1--      55.535                 12.826                  9.166
 ROA3   Fr= 1--    -113.784               -169.848               -154.310
 CID3   Fr= 1--      -2.049                -13.243                -16.835
 RC180  Fr= 1--       0.064                  0.521                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03   0.14    -0.01   0.07   0.05    -0.01   0.06   0.06
     2   6    -0.06  -0.01  -0.09    -0.01   0.08  -0.03    -0.00   0.02  -0.06
     3   6     0.05  -0.05  -0.07     0.02   0.00   0.00    -0.03   0.06   0.03
     4   6    -0.03   0.05   0.02    -0.03   0.01  -0.01     0.03  -0.04  -0.00
     5   6    -0.01  -0.05  -0.03    -0.01  -0.01  -0.00     0.01   0.03   0.02
     6   6    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
     7   8     0.01   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.01  -0.04  -0.02     0.01  -0.10  -0.02     0.02  -0.06  -0.07
     9   6    -0.06   0.10  -0.03     0.13  -0.07  -0.08    -0.07   0.03   0.03
    10   6     0.10   0.03   0.06    -0.12   0.09   0.07     0.04  -0.10  -0.06
    11   6    -0.00   0.01   0.02     0.01   0.00   0.00    -0.01  -0.01  -0.01
    12   1    -0.20  -0.18  -0.04     0.03  -0.23  -0.07    -0.00   0.03  -0.01
    13   1     0.07   0.30   0.21     0.27  -0.29  -0.09    -0.17   0.27   0.08
    14   1     0.08  -0.33  -0.21     0.01  -0.11  -0.06     0.01   0.24   0.12
    15   1     0.04  -0.22  -0.15    -0.28  -0.04   0.01     0.24   0.05   0.01
    16   1     0.16   0.34  -0.11    -0.28   0.17   0.04     0.06  -0.23   0.01
    17   1     0.09   0.02   0.24    -0.03  -0.06  -0.38    -0.02  -0.05  -0.30
    18   1     0.07   0.03   0.22     0.04  -0.15   0.25     0.04  -0.14   0.26
    19   1     0.02   0.03  -0.04     0.09  -0.15   0.23     0.09  -0.13   0.21
    20   1    -0.01   0.14  -0.01    -0.02   0.16   0.01    -0.11   0.37  -0.01
    21   1     0.05  -0.16   0.08     0.05  -0.21   0.15     0.00  -0.13   0.19
    22   1     0.04  -0.02   0.05     0.08  -0.18   0.15     0.10  -0.29   0.22
    23   1    -0.06  -0.15  -0.10    -0.05  -0.01  -0.03     0.05   0.03   0.03
    24   1    -0.10   0.21   0.14    -0.01   0.04   0.02     0.05  -0.17  -0.11
    25   1     0.00   0.01  -0.06    -0.02   0.01  -0.02     0.02  -0.02   0.05
    26   1     0.02  -0.06   0.07    -0.01  -0.00  -0.01     0.01   0.03  -0.01
    27   1     0.01  -0.04  -0.02     0.00  -0.02   0.03    -0.01   0.04  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    971.5727               998.4452              1009.4657
 Red. masses --      1.6844                 1.6965                 1.4519
 Frc consts  --      0.9368                 0.9964                 0.8717
 IR Inten    --      0.9153                12.9928                 7.1808
 RamAct Fr= 1--     11.2086                54.3347                 8.2865
  Dep-P Fr= 1--      0.7482                 0.2836                 0.4347
  Dep-U Fr= 1--      0.8560                 0.4418                 0.6059
 Alpha2 Fr= 1--      0.0003                 0.5850                 0.0540
 Beta2  Fr= 1--      1.5991                 4.0012                 0.8368
 AlphaG Fr= 1--     -0.0226                -0.1015                 0.2129
 Gamma2 Fr= 1--      0.2312                 3.3206                -0.1384
 Delta2 Fr= 1--     -1.0340                 1.2331                -0.8046
 Raman1 Fr= 1--      44.834                217.339                 33.146
 ROA1   Fr= 1--     -10.894                358.233                -39.035
 CID1   Fr= 1--      -0.243                  1.648                 -1.178
 Raman2 Fr= 1--      19.189                 48.014                 10.042
 ROA2   Fr= 1--      13.821                 69.829                  3.114
 CID2   Fr= 1--       0.720                  1.454                  0.310
 Raman3 Fr= 1--      38.378                 96.029                 20.084
 ROA3   Fr= 1--     -10.894                358.233                -39.035
 CID3   Fr= 1--      -0.284                  3.730                 -1.944
 RC180  Fr= 1--       0.712                 -0.116                  0.212
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.08   0.05     0.04  -0.05   0.03    -0.08   0.01  -0.01
     2   6     0.01  -0.04  -0.06     0.01  -0.09  -0.05    -0.01   0.02   0.03
     3   6     0.00   0.13   0.04    -0.01  -0.01   0.06     0.03  -0.06  -0.03
     4   6     0.01  -0.05  -0.03    -0.02  -0.01  -0.01    -0.01   0.02   0.02
     5   6    -0.01   0.04   0.03    -0.06   0.03  -0.04    -0.05   0.00  -0.06
     6   6    -0.01   0.01  -0.01     0.02  -0.02   0.04     0.01  -0.02   0.03
     7   8     0.01   0.00  -0.00    -0.03  -0.02   0.03    -0.03  -0.02   0.03
     8   6     0.02   0.03  -0.01    -0.06   0.04  -0.09     0.08   0.01   0.02
     9   6     0.08   0.01  -0.07     0.05  -0.00   0.04    -0.02  -0.01   0.01
    10   6    -0.07  -0.05   0.04    -0.02   0.06  -0.01     0.01   0.02  -0.02
    11   6    -0.01  -0.02  -0.00     0.09   0.03  -0.03     0.09   0.03  -0.01
    12   1    -0.09  -0.37  -0.10     0.13   0.18   0.06     0.03  -0.14  -0.08
    13   1     0.23   0.24   0.21    -0.02  -0.04  -0.06    -0.06   0.05   0.01
    14   1    -0.02   0.23   0.09     0.05   0.01   0.07     0.10   0.10   0.05
    15   1    -0.03  -0.09  -0.02    -0.05   0.11   0.05     0.21   0.09  -0.02
    16   1    -0.28   0.01   0.02    -0.00   0.00   0.02    -0.17  -0.08   0.04
    17   1     0.14   0.06   0.39    -0.02   0.01   0.30     0.12   0.02  -0.13
    18   1     0.07   0.14   0.08    -0.06   0.06  -0.20     0.12  -0.01   0.33
    19   1    -0.03   0.12  -0.33    -0.06   0.06   0.06     0.05  -0.01  -0.30
    20   1    -0.05  -0.02  -0.00    -0.01   0.47  -0.06    -0.11  -0.18   0.04
    21   1    -0.05   0.13  -0.05     0.09  -0.24   0.17    -0.15   0.32  -0.10
    22   1    -0.02  -0.08  -0.01     0.07   0.10   0.10    -0.04  -0.26   0.01
    23   1    -0.05   0.03   0.02     0.10   0.03  -0.01     0.09   0.00  -0.01
    24   1     0.02  -0.26  -0.15     0.02  -0.01  -0.07    -0.05   0.12   0.01
    25   1     0.03  -0.04   0.08    -0.20   0.12  -0.18    -0.18   0.12  -0.19
    26   1     0.01   0.03  -0.01    -0.18   0.06  -0.24    -0.16   0.03  -0.19
    27   1    -0.01   0.05  -0.02     0.02  -0.21   0.35     0.02  -0.21   0.32
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1024.1017              1027.2323              1050.5931
 Red. masses --      1.1525                 1.6953                 1.8800
 Frc consts  --      0.7122                 1.0540                 1.2225
 IR Inten    --     33.0745                 4.5664                 0.7627
 RamAct Fr= 1--      2.2997                11.4828                 1.1292
  Dep-P Fr= 1--      0.6760                 0.5622                 0.6551
  Dep-U Fr= 1--      0.8067                 0.7198                 0.7916
 Alpha2 Fr= 1--      0.0030                 0.0409                 0.0019
 Beta2  Fr= 1--      0.3092                 1.3775                 0.1490
 AlphaG Fr= 1--     -0.2039                -0.3752                -0.0049
 Gamma2 Fr= 1--     -0.0820                -2.5004                -0.2024
 Delta2 Fr= 1--      0.6960                -0.7281                 0.0214
 Raman1 Fr= 1--       9.199                 45.931                  4.517
 ROA1   Fr= 1--      14.397               -263.340                -18.744
 CID1   Fr= 1--       1.565                 -5.733                 -4.150
 Raman2 Fr= 1--       3.710                 16.530                  1.788
 ROA2   Fr= 1--      -7.537                -54.186                 -5.028
 CID2   Fr= 1--      -2.031                 -3.278                 -2.812
 Raman3 Fr= 1--       7.420                 33.059                  3.576
 ROA3   Fr= 1--      14.397               -263.340                -18.744
 CID3   Fr= 1--       1.940                 -7.966                 -5.242
 RC180  Fr= 1--       0.613                  0.440                  0.583
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00     0.06   0.04   0.00     0.00   0.00  -0.00
     2   6     0.00  -0.02  -0.00    -0.00   0.07  -0.01    -0.00  -0.00   0.00
     3   6    -0.01   0.01   0.02     0.02   0.10  -0.01     0.00  -0.01  -0.00
     4   6     0.01  -0.07  -0.04     0.03  -0.06  -0.00    -0.01   0.04   0.03
     5   6     0.02  -0.05  -0.02    -0.04   0.02  -0.04     0.01  -0.06  -0.04
     6   6    -0.01   0.03   0.01    -0.00   0.00   0.02    -0.04   0.17   0.11
     7   8     0.01  -0.00  -0.01    -0.02  -0.02   0.02     0.01  -0.03  -0.02
     8   6     0.01   0.01  -0.02    -0.04  -0.05   0.09     0.00   0.00   0.00
     9   6     0.01  -0.00   0.01    -0.05   0.01  -0.06    -0.00  -0.00   0.00
    10   6    -0.01   0.01  -0.01    -0.00  -0.09   0.01     0.00   0.00   0.00
    11   6    -0.01  -0.02  -0.01     0.07   0.01  -0.01     0.03  -0.13  -0.08
    12   1     0.03   0.02   0.01    -0.17  -0.18  -0.05     0.00   0.00   0.00
    13   1    -0.00   0.01  -0.00     0.05   0.17   0.13    -0.00  -0.01  -0.01
    14   1    -0.04   0.00   0.01     0.15  -0.02  -0.07     0.00   0.01   0.00
    15   1     0.03   0.04   0.01    -0.01  -0.14  -0.03    -0.01  -0.00  -0.00
    16   1     0.00  -0.01   0.00     0.03  -0.03  -0.03    -0.01   0.00   0.00
    17   1     0.03   0.01   0.03    -0.13  -0.03  -0.09     0.00   0.00   0.00
    18   1     0.03   0.01   0.06    -0.09  -0.05  -0.18    -0.00   0.00  -0.01
    19   1     0.00   0.01  -0.08    -0.01  -0.03   0.33     0.00  -0.00   0.00
    20   1    -0.04   0.09  -0.01     0.19  -0.34   0.02    -0.00  -0.01   0.00
    21   1    -0.02   0.02   0.03     0.12  -0.18  -0.09    -0.00   0.01  -0.00
    22   1     0.02  -0.07   0.04    -0.04   0.31  -0.17    -0.00   0.00  -0.00
    23   1    -0.11   0.59   0.37     0.02   0.18   0.14     0.05  -0.25  -0.16
    24   1    -0.10   0.55   0.35    -0.10   0.10   0.01    -0.00   0.01   0.01
    25   1     0.03  -0.04   0.09    -0.14   0.07  -0.08     0.03  -0.18   0.57
    26   1     0.02   0.04  -0.01    -0.14   0.06  -0.18    -0.08   0.42  -0.42
    27   1    -0.01   0.07  -0.03     0.01  -0.14   0.28    -0.06   0.27   0.17
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1098.3671              1159.2260              1183.7429
 Red. masses --      1.8148                 2.0627                 1.8543
 Frc consts  --      1.2900                 1.6331                 1.5309
 IR Inten    --     10.9360                 6.2171                15.5323
 RamAct Fr= 1--     75.2134                83.6951                46.2116
  Dep-P Fr= 1--      0.2413                 0.3185                 0.3566
  Dep-U Fr= 1--      0.3887                 0.4832                 0.5257
 Alpha2 Fr= 1--      0.9134                 0.8115                 0.3971
 Beta2  Fr= 1--      4.8731                 6.7396                 4.0491
 AlphaG Fr= 1--      0.5939                -0.7706                -0.4265
 Gamma2 Fr= 1--      2.1482                -9.3221                -1.5593
 Delta2 Fr= 1--      4.2804                 0.3582                 0.5612
 Raman1 Fr= 1--     300.853                334.780                184.846
 ROA1   Fr= 1--     343.195               -883.455               -131.733
 CID1   Fr= 1--       1.141                 -2.639                 -0.713
 Raman2 Fr= 1--      58.477                 80.875                 48.589
 ROA2   Fr= 1--      17.313               -226.595                -41.912
 CID2   Fr= 1--       0.296                 -2.802                 -0.863
 Raman3 Fr= 1--     116.954                161.749                 97.178
 ROA3   Fr= 1--     343.195               -883.455               -131.733
 CID3   Fr= 1--       2.934                 -5.462                 -1.356
 RC180  Fr= 1--      -0.223                 -0.034                  0.051
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01  -0.02     0.01   0.04  -0.03    -0.10   0.01   0.03
     2   6     0.02  -0.04   0.04     0.06  -0.06   0.06     0.18   0.00  -0.07
     3   6     0.16   0.13  -0.03     0.17  -0.11   0.06    -0.03   0.01   0.02
     4   6    -0.03  -0.00  -0.05    -0.12   0.06  -0.09    -0.01   0.00   0.00
     5   6    -0.03  -0.00   0.01    -0.03  -0.03   0.02    -0.01   0.00   0.00
     6   6    -0.02   0.01  -0.02     0.01  -0.01  -0.00     0.01  -0.00   0.01
     7   8     0.00  -0.01   0.01     0.02   0.01  -0.01     0.00   0.00  -0.00
     8   6     0.01   0.03  -0.03    -0.06   0.03  -0.01    -0.07  -0.00   0.04
     9   6    -0.04  -0.02   0.03    -0.05  -0.00  -0.05     0.01  -0.10   0.03
    10   6    -0.01  -0.09   0.05     0.01   0.02   0.02    -0.09   0.04  -0.03
    11   6     0.03  -0.00   0.01    -0.02  -0.00   0.00    -0.01  -0.00  -0.00
    12   1    -0.05   0.41   0.20    -0.09  -0.24  -0.11     0.16   0.03  -0.03
    13   1    -0.08  -0.23  -0.13     0.00   0.23   0.14    -0.16   0.31   0.10
    14   1     0.10  -0.01  -0.10     0.12   0.55   0.40     0.04  -0.16  -0.07
    15   1    -0.44  -0.31   0.01     0.10   0.01  -0.03     0.03   0.16   0.03
    16   1     0.25   0.11  -0.07    -0.19  -0.02   0.05     0.48   0.06  -0.05
    17   1     0.06   0.01  -0.10    -0.04  -0.01  -0.15     0.19   0.03  -0.11
    18   1     0.06  -0.02   0.16    -0.02  -0.06  -0.03     0.12   0.01   0.37
    19   1     0.04  -0.03  -0.17     0.03  -0.05   0.09     0.09  -0.08  -0.24
    20   1    -0.06   0.12  -0.01     0.06   0.10  -0.02     0.19  -0.07  -0.01
    21   1    -0.04   0.08   0.02     0.06  -0.12   0.02     0.11  -0.17  -0.07
    22   1     0.02  -0.08   0.05     0.01   0.24  -0.02    -0.01   0.31  -0.08
    23   1    -0.29  -0.02  -0.04    -0.24   0.04  -0.09     0.05  -0.02  -0.02
    24   1    -0.15  -0.07  -0.02     0.09   0.07   0.07     0.04  -0.01  -0.01
    25   1    -0.04   0.02  -0.01     0.03  -0.02   0.02     0.01  -0.01   0.00
    26   1    -0.04  -0.00  -0.04     0.03  -0.02   0.04     0.01   0.01   0.01
    27   1     0.01  -0.05   0.10    -0.00   0.04  -0.07    -0.00   0.02  -0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1200.0085              1224.8828              1246.2475
 Red. masses --      1.7103                 1.4930                 1.6681
 Frc consts  --      1.4511                 1.3197                 1.5265
 IR Inten    --      0.8222                 9.6472                16.3157
 RamAct Fr= 1--     48.5136                16.2199                44.7614
  Dep-P Fr= 1--      0.3367                 0.4442                 0.3354
  Dep-U Fr= 1--      0.5038                 0.6151                 0.5023
 Alpha2 Fr= 1--      0.4444                 0.1018                 0.4118
 Beta2  Fr= 1--      4.0736                 1.6629                 3.7475
 AlphaG Fr= 1--      0.2684                -0.1992                -0.2504
 Gamma2 Fr= 1--      3.0893                -5.0296                -2.7149
 Delta2 Fr= 1--     -1.8538                -3.0869                -3.5737
 Raman1 Fr= 1--     194.055                 64.880                179.046
 ROA1   Fr= 1--     237.249               -581.618               -374.989
 CID1   Fr= 1--       1.223                 -8.965                 -2.094
 Raman2 Fr= 1--      48.883                 19.955                 44.969
 ROA2   Fr= 1--      88.973                -96.014                -36.568
 CID2   Fr= 1--       1.820                 -4.812                 -0.813
 Raman3 Fr= 1--      97.766                 39.910                 89.939
 ROA3   Fr= 1--     237.249               -581.618               -374.989
 CID3   Fr= 1--       2.427                -14.573                 -4.169
 RC180  Fr= 1--       0.008                  0.230                  0.005
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02   0.02     0.04   0.03  -0.01     0.01  -0.07  -0.02
     2   6    -0.10   0.05  -0.07    -0.11  -0.07   0.01     0.01   0.16   0.08
     3   6     0.06   0.02   0.09     0.02  -0.02  -0.03     0.03  -0.03  -0.03
     4   6    -0.11  -0.00  -0.06     0.04   0.01   0.01     0.01   0.01  -0.00
     5   6    -0.04  -0.00   0.00     0.03   0.00   0.00     0.02  -0.00   0.01
     6   6     0.03  -0.01   0.03    -0.03   0.01  -0.03    -0.03   0.01  -0.03
     7   8     0.02   0.02  -0.02    -0.01  -0.01   0.01    -0.00  -0.00   0.01
     8   6     0.05  -0.01   0.03     0.05   0.03   0.00    -0.01  -0.05  -0.04
     9   6     0.03  -0.02   0.06     0.06  -0.07   0.01    -0.01   0.05   0.07
    10   6    -0.02  -0.00  -0.06    -0.04   0.05  -0.02    -0.07  -0.04  -0.04
    11   6    -0.03  -0.00  -0.01     0.02   0.00   0.01     0.02   0.00   0.01
    12   1     0.14   0.00  -0.01     0.15  -0.08  -0.04     0.11  -0.54  -0.24
    13   1    -0.12   0.08  -0.01    -0.10   0.57   0.24    -0.07  -0.18  -0.13
    14   1     0.69  -0.26  -0.05    -0.25   0.12   0.03    -0.01   0.19   0.08
    15   1    -0.12   0.11   0.08    -0.33   0.05   0.08    -0.09   0.02   0.03
    16   1     0.12  -0.14   0.01     0.37   0.06  -0.04     0.51  -0.03  -0.07
    17   1    -0.04  -0.00   0.10    -0.12  -0.02  -0.06     0.03   0.01   0.19
    18   1    -0.02   0.02  -0.07    -0.05  -0.08  -0.08     0.01   0.14  -0.13
    19   1    -0.03   0.03   0.07    -0.00  -0.02   0.20    -0.09   0.12  -0.14
    20   1    -0.05  -0.17   0.03    -0.11  -0.04   0.02    -0.01   0.09  -0.02
    21   1    -0.03   0.11  -0.04    -0.08   0.19  -0.03     0.03  -0.16   0.14
    22   1    -0.04  -0.16  -0.02    -0.03  -0.10  -0.04     0.07  -0.08   0.12
    23   1     0.06   0.05  -0.06    -0.13  -0.03   0.01    -0.09  -0.02  -0.01
    24   1     0.39   0.06  -0.01    -0.17  -0.02   0.01    -0.04   0.00   0.02
    25   1     0.05  -0.02   0.02    -0.03   0.01  -0.00    -0.03   0.01   0.01
    26   1     0.04   0.01   0.03    -0.02  -0.02  -0.01    -0.02  -0.03  -0.00
    27   1    -0.01   0.07  -0.11     0.01  -0.04   0.07     0.01  -0.04   0.07
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1258.3447              1275.9985              1279.1478
 Red. masses --      1.4693                 2.5264                 1.6112
 Frc consts  --      1.3707                 2.4235                 1.5532
 IR Inten    --      7.3910               127.9468                 6.1655
 RamAct Fr= 1--     53.5433                31.2025                 7.8571
  Dep-P Fr= 1--      0.2923                 0.2835                 0.6321
  Dep-U Fr= 1--      0.4524                 0.4418                 0.7746
 Alpha2 Fr= 1--      0.5619                 0.3360                 0.0168
 Beta2  Fr= 1--      4.0368                 2.2976                 1.0144
 AlphaG Fr= 1--      0.0325                 0.1077                 0.0738
 Gamma2 Fr= 1--      0.2915                 1.5084                 4.3057
 Delta2 Fr= 1--      1.2815                 0.1529                 2.6987
 Raman1 Fr= 1--     214.173                124.810                 31.428
 ROA1   Fr= 1--      68.995                149.703                499.710
 CID1   Fr= 1--       0.322                  1.199                 15.900
 Raman2 Fr= 1--      48.442                 27.572                 12.172
 ROA2   Fr= 1--      -3.256                 34.979                 81.748
 CID2   Fr= 1--      -0.067                  1.269                  6.716
 Raman3 Fr= 1--      96.884                 55.143                 24.345
 ROA3   Fr= 1--      68.995                149.703                499.710
 CID3   Fr= 1--       0.712                  2.715                 20.526
 RC180  Fr= 1--      -0.095                 -0.116                  0.549
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01     0.01   0.01   0.01    -0.01   0.04   0.03
     2   6    -0.03  -0.02   0.06    -0.02  -0.03  -0.01     0.01  -0.10  -0.12
     3   6    -0.01  -0.01  -0.06     0.00  -0.00  -0.06    -0.05  -0.01  -0.05
     4   6    -0.03  -0.02   0.04     0.01  -0.01   0.02    -0.01  -0.03   0.04
     5   6    -0.01  -0.00  -0.00    -0.08   0.04  -0.09    -0.01  -0.00  -0.00
     6   6    -0.02   0.01  -0.02     0.21  -0.09   0.22    -0.04   0.02  -0.04
     7   8     0.01   0.00  -0.00    -0.03   0.01  -0.03     0.02   0.00   0.00
     8   6     0.02   0.00  -0.02     0.01   0.01   0.00    -0.00   0.03   0.04
     9   6     0.04  -0.01  -0.07     0.02   0.04   0.02     0.00   0.09   0.07
    10   6    -0.11  -0.04   0.09    -0.04  -0.02   0.04     0.03  -0.01   0.02
    11   6     0.00   0.00   0.00    -0.08   0.00  -0.03     0.01   0.00   0.00
    12   1    -0.13   0.27   0.16     0.02  -0.09  -0.04     0.12  -0.22  -0.13
    13   1     0.16   0.03   0.06     0.04  -0.14  -0.06     0.03  -0.34  -0.16
    14   1     0.19   0.18   0.04     0.01   0.30   0.08    -0.02   0.40   0.15
    15   1     0.52  -0.00  -0.12    -0.04  -0.07  -0.01    -0.36  -0.11   0.06
    16   1     0.39   0.24  -0.08     0.29   0.13  -0.05     0.12   0.11  -0.04
    17   1    -0.04  -0.01  -0.02    -0.03  -0.01  -0.01    -0.00  -0.00  -0.09
    18   1    -0.02  -0.01  -0.06    -0.02  -0.02  -0.01    -0.00  -0.09   0.11
    19   1    -0.01   0.01   0.02     0.01  -0.01   0.04     0.07  -0.09   0.08
    20   1    -0.06   0.06  -0.00    -0.04  -0.01   0.01     0.02  -0.11   0.02
    21   1    -0.04   0.06   0.03    -0.02   0.05  -0.01     0.02   0.06  -0.12
    22   1     0.02  -0.05   0.03    -0.02  -0.02  -0.03    -0.08   0.06  -0.12
    23   1     0.24   0.02   0.03     0.13   0.02   0.02     0.17   0.03   0.06
    24   1     0.38   0.08   0.01    -0.50  -0.03  -0.09     0.46   0.10   0.01
    25   1     0.00  -0.00   0.02     0.11  -0.02  -0.18    -0.00  -0.00   0.04
    26   1     0.00  -0.02   0.01     0.06   0.20  -0.05     0.01  -0.04   0.02
    27   1    -0.01  -0.04   0.05    -0.01   0.26  -0.42    -0.01  -0.05   0.08
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1288.2398              1316.1144              1337.5015
 Red. masses --      1.7199                 1.8053                 1.3493
 Frc consts  --      1.6817                 1.8424                 1.4221
 IR Inten    --      8.1760                 7.2041                 0.3968
 RamAct Fr= 1--      3.4878                 1.7676                37.2002
  Dep-P Fr= 1--      0.7488                 0.7413                 0.2482
  Dep-U Fr= 1--      0.8563                 0.8514                 0.3977
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.4431
 Beta2  Fr= 1--      0.4978                 0.2508                 2.4657
 AlphaG Fr= 1--      0.0057                 0.0172                 0.0832
 Gamma2 Fr= 1--     -1.6169                 2.1254                -0.3205
 Delta2 Fr= 1--     -2.3850                 1.6680                 0.2167
 Raman1 Fr= 1--      13.951                  7.071                148.801
 ROA1   Fr= 1--    -231.537                257.414                -23.835
 CID1   Fr= 1--     -16.596                 36.406                 -0.160
 Raman2 Fr= 1--       5.974                  3.010                 29.589
 ROA2   Fr= 1--     -19.725                 37.665                 -9.425
 CID2   Fr= 1--      -3.302                 12.513                 -0.319
 Raman3 Fr= 1--      11.947                  6.020                 59.177
 ROA3   Fr= 1--    -231.537                257.414                -23.835
 CID3   Fr= 1--     -19.380                 42.760                 -0.403
 RC180  Fr= 1--       0.713                  0.703                 -0.205
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.02    -0.00   0.05  -0.02    -0.00   0.00   0.01
     2   6    -0.04  -0.08  -0.10     0.03  -0.15   0.16     0.00  -0.02   0.01
     3   6     0.04  -0.01   0.09     0.01   0.08  -0.00    -0.02   0.01  -0.02
     4   6     0.02   0.04  -0.06    -0.01  -0.02   0.03    -0.01   0.05  -0.09
     5   6     0.06  -0.01   0.03    -0.04   0.01  -0.02    -0.01  -0.07   0.11
     6   6    -0.03   0.02  -0.03     0.01  -0.01   0.02    -0.02   0.01  -0.03
     7   8    -0.01  -0.01   0.01     0.01   0.01  -0.01     0.00  -0.00   0.01
     8   6     0.01   0.03   0.04    -0.01   0.03  -0.04     0.00   0.00  -0.00
     9   6     0.02   0.09   0.03    -0.01   0.07   0.00    -0.00   0.00   0.00
    10   6    -0.10  -0.02  -0.01    -0.02   0.00  -0.04     0.01  -0.00   0.01
    11   6     0.02  -0.00   0.01    -0.01  -0.00  -0.00    -0.00   0.01  -0.01
    12   1     0.03  -0.10  -0.05     0.01  -0.51  -0.23     0.01  -0.03  -0.02
    13   1     0.09  -0.34  -0.16     0.07   0.03   0.05     0.01   0.01   0.01
    14   1    -0.03  -0.18  -0.01     0.01  -0.52  -0.30     0.16   0.05  -0.00
    15   1     0.54   0.19  -0.05     0.02   0.09   0.03    -0.11  -0.02   0.03
    16   1     0.19   0.01  -0.03     0.03  -0.06  -0.01     0.00   0.04  -0.01
    17   1    -0.05  -0.01  -0.06    -0.05  -0.03  -0.25     0.02  -0.01  -0.06
    18   1    -0.02  -0.10   0.04    -0.08  -0.10  -0.09    -0.03   0.02  -0.04
    19   1     0.05  -0.06   0.11     0.08  -0.05  -0.07     0.02  -0.01  -0.03
    20   1    -0.00  -0.13   0.02    -0.05   0.18  -0.02    -0.01   0.02   0.00
    21   1     0.01   0.07  -0.10    -0.07   0.08   0.06    -0.01   0.01   0.00
    22   1    -0.08  -0.01  -0.09     0.05   0.07   0.04     0.00   0.01  -0.00
    23   1    -0.29  -0.03  -0.06     0.11  -0.02   0.01     0.80   0.22  -0.10
    24   1    -0.42  -0.12   0.02     0.22   0.03  -0.03    -0.41  -0.15   0.11
    25   1    -0.04   0.01   0.02     0.02  -0.01  -0.01     0.02  -0.01   0.07
    26   1    -0.03  -0.03  -0.01     0.02   0.02   0.00     0.03  -0.05   0.04
    27   1     0.01  -0.03   0.05    -0.01   0.02  -0.02    -0.02  -0.06   0.09
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1387.2563              1391.4858              1405.5931
 Red. masses --      1.4413                 1.3678                 1.3103
 Frc consts  --      1.6343                 1.5604                 1.5252
 IR Inten    --     36.1194                 9.5988                11.8555
 RamAct Fr= 1--      3.1730                 8.7845                 1.2587
  Dep-P Fr= 1--      0.1547                 0.2982                 0.2004
  Dep-U Fr= 1--      0.2679                 0.4594                 0.3338
 Alpha2 Fr= 1--      0.0485                 0.0906                 0.0171
 Beta2  Fr= 1--      0.1417                 0.6726                 0.0700
 AlphaG Fr= 1--      0.0021                 0.0059                -0.0437
 Gamma2 Fr= 1--     -0.0106                -0.9122                -0.0295
 Delta2 Fr= 1--     -0.1391                -0.0160                 0.2071
 Raman1 Fr= 1--      12.692                 35.138                  5.035
 ROA1   Fr= 1--      -5.472                -88.082                  3.792
 CID1   Fr= 1--      -0.431                 -2.507                  0.753
 Raman2 Fr= 1--       1.700                  8.071                  0.840
 ROA2   Fr= 1--       0.858                -21.764                 -2.366
 CID2   Fr= 1--       0.505                 -2.696                 -2.816
 Raman3 Fr= 1--       3.401                 16.143                  1.681
 ROA3   Fr= 1--      -5.472                -88.082                  3.792
 CID3   Fr= 1--      -1.609                 -5.456                  2.256
 RC180  Fr= 1--      -0.464                 -0.081                 -0.332
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.01    -0.00   0.01   0.02     0.02  -0.01   0.09
     2   6     0.01  -0.02   0.03     0.02  -0.02   0.03    -0.01   0.03  -0.04
     3   6    -0.09  -0.02  -0.01    -0.11  -0.02  -0.01     0.03  -0.00   0.01
     4   6     0.01   0.01  -0.01     0.02   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.07   0.01   0.01     0.07   0.03  -0.03    -0.01  -0.00   0.00
     6   6    -0.04   0.02  -0.05     0.02  -0.01   0.02    -0.00  -0.00  -0.00
     7   8    -0.00  -0.01   0.01    -0.02  -0.01   0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.01    -0.00  -0.01  -0.01     0.03  -0.11   0.03
     9   6     0.00   0.00  -0.01     0.00   0.00  -0.01     0.00  -0.01   0.01
    10   6     0.02   0.00   0.01     0.02   0.00   0.02    -0.01   0.00  -0.00
    11   6     0.03  -0.06   0.11    -0.01   0.05  -0.08    -0.00  -0.00   0.00
    12   1     0.03  -0.01  -0.03     0.04  -0.01  -0.03    -0.01   0.04   0.03
    13   1     0.06   0.01   0.05     0.07   0.01   0.05    -0.04  -0.02  -0.03
    14   1     0.49   0.07   0.04     0.59   0.09   0.05    -0.16   0.02   0.02
    15   1    -0.09  -0.03   0.03    -0.10  -0.04   0.02     0.03  -0.01  -0.03
    16   1    -0.01   0.05  -0.01     0.00   0.06  -0.01     0.01  -0.05   0.02
    17   1     0.01  -0.01  -0.08     0.00  -0.03  -0.11    -0.02  -0.13  -0.32
    18   1    -0.04  -0.01  -0.05    -0.06  -0.02  -0.08    -0.18   0.09  -0.31
    19   1     0.04  -0.01  -0.07     0.05  -0.00  -0.11     0.05   0.14  -0.33
    20   1     0.00   0.05  -0.00     0.00   0.07   0.00    -0.07   0.39   0.08
    21   1    -0.04   0.04   0.00    -0.06   0.06   0.00    -0.25   0.32  -0.16
    22   1     0.03   0.05   0.01     0.03   0.07   0.00     0.05   0.38  -0.22
    23   1    -0.13  -0.01  -0.01    -0.32  -0.06   0.01     0.01   0.00   0.00
    24   1    -0.11  -0.02   0.01    -0.22  -0.02  -0.04     0.05   0.01   0.00
    25   1    -0.14   0.05  -0.46     0.05  -0.02   0.37     0.00  -0.00  -0.02
    26   1    -0.20   0.34  -0.28     0.11  -0.30   0.19    -0.00   0.02  -0.01
    27   1     0.11   0.22  -0.32    -0.06  -0.16   0.24     0.00   0.01  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1421.6368              1471.4374              1479.9732
 Red. masses --      1.2283                 1.0568                 1.0473
 Frc consts  --      1.4626                 1.3481                 1.3515
 IR Inten    --      3.2955                10.2988                10.6960
 RamAct Fr= 1--      2.2926                 3.1976                 4.4785
  Dep-P Fr= 1--      0.5941                 0.7452                 0.7499
  Dep-U Fr= 1--      0.7454                 0.8540                 0.8571
 Alpha2 Fr= 1--      0.0066                 0.0003                 0.0000
 Beta2  Fr= 1--      0.2848                 0.4551                 0.6397
 AlphaG Fr= 1--     -0.0141                -0.0025                -0.0013
 Gamma2 Fr= 1--     -0.2225                -0.4581                -0.3953
 Delta2 Fr= 1--      0.0463                -0.2733                -0.2833
 Raman1 Fr= 1--       9.170                 12.790                 17.914
 ROA1   Fr= 1--     -19.881                -52.729                -47.014
 CID1   Fr= 1--      -2.168                 -4.123                 -2.624
 Raman2 Fr= 1--       3.418                  5.462                  7.677
 ROA2   Fr= 1--      -5.711                 -8.809                 -7.221
 CID2   Fr= 1--      -1.671                 -1.613                 -0.941
 Raman3 Fr= 1--       6.835                 10.923                 15.354
 ROA3   Fr= 1--     -19.881                -52.729                -47.014
 CID3   Fr= 1--      -2.909                 -4.827                 -3.062
 RC180  Fr= 1--       0.491                  0.708                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.10    -0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.01   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00   0.01  -0.02     0.00  -0.02  -0.01
     7   8    -0.00  -0.00   0.00    -0.02  -0.01   0.02     0.00   0.00   0.00
     8   6     0.02  -0.09   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   6    -0.01   0.01   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.05  -0.01  -0.01     0.01  -0.05  -0.03
    12   1     0.06  -0.02  -0.05     0.01   0.00  -0.00    -0.01  -0.00   0.01
    13   1     0.05  -0.04   0.03     0.01  -0.00   0.01    -0.01   0.00  -0.01
    14   1     0.07  -0.03  -0.01     0.03   0.00   0.01    -0.00   0.00   0.00
    15   1    -0.01   0.03   0.03    -0.00   0.01   0.01     0.00   0.01   0.01
    16   1    -0.01   0.03  -0.02    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    17   1     0.02   0.14   0.38     0.02   0.01   0.01     0.02   0.01   0.02
    18   1     0.24  -0.04   0.36    -0.01   0.00  -0.01    -0.01  -0.01  -0.01
    19   1    -0.11  -0.11   0.41     0.02  -0.02   0.00     0.02  -0.03  -0.00
    20   1    -0.05   0.33   0.05    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    21   1    -0.25   0.29  -0.08    -0.00   0.00   0.01    -0.01   0.00   0.02
    22   1     0.09   0.35  -0.13     0.00   0.01   0.00     0.01   0.01   0.00
    23   1     0.01   0.00  -0.01    -0.05  -0.01  -0.00     0.00  -0.01  -0.00
    24   1    -0.02  -0.01  -0.00    -0.01   0.00  -0.00     0.00   0.00   0.00
    25   1    -0.00  -0.00   0.01     0.52  -0.12  -0.33    -0.44   0.11  -0.19
    26   1    -0.00  -0.01   0.00     0.41   0.49   0.06     0.40  -0.01   0.26
    27   1    -0.00  -0.00   0.00    -0.10  -0.23   0.35    -0.12   0.61   0.37
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.4752              1486.8291              1493.0115
 Red. masses --      1.0697                 1.0460                 1.0651
 Frc consts  --      1.3870                 1.3624                 1.3988
 IR Inten    --      0.8346                 0.3767                 6.9142
 RamAct Fr= 1--      8.5176                 8.3921                10.9816
  Dep-P Fr= 1--      0.6634                 0.7141                 0.6953
  Dep-U Fr= 1--      0.7976                 0.8332                 0.8203
 Alpha2 Fr= 1--      0.0131                 0.0052                 0.0105
 Beta2  Fr= 1--      1.1323                 1.1653                 1.5013
 AlphaG Fr= 1--      0.0199                 0.0119                -0.0384
 Gamma2 Fr= 1--      2.0546                -1.4354                -1.3522
 Delta2 Fr= 1--      0.1363                -0.6903                 0.6190
 Raman1 Fr= 1--      34.070                 33.568                 43.927
 ROA1   Fr= 1--     201.605               -159.892               -110.005
 CID1   Fr= 1--       5.917                 -4.763                 -2.504
 Raman2 Fr= 1--      13.588                 13.984                 18.016
 ROA2   Fr= 1--      48.221                -28.928                -37.406
 CID2   Fr= 1--       3.549                 -2.069                 -2.076
 Raman3 Fr= 1--      27.175                 27.968                 36.032
 ROA3   Fr= 1--     201.605               -159.892               -110.005
 CID3   Fr= 1--       7.419                 -5.717                 -3.053
 RC180  Fr= 1--       0.595                  0.666                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.00     0.03   0.00  -0.00    -0.00   0.02   0.01
     2   6    -0.00  -0.01   0.01    -0.01  -0.00   0.00    -0.01   0.00  -0.03
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     8   6     0.01   0.01   0.02    -0.04  -0.01   0.01    -0.01  -0.01  -0.04
     9   6    -0.05   0.00  -0.01    -0.01   0.00   0.00    -0.02   0.00   0.00
    10   6    -0.01   0.04   0.01    -0.00   0.01   0.00    -0.01   0.04   0.01
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1     0.35   0.12  -0.20     0.07   0.02  -0.04     0.17   0.09  -0.09
    13   1     0.31  -0.08   0.26     0.06  -0.02   0.05     0.14  -0.06   0.11
    14   1     0.01  -0.02  -0.01     0.01   0.00  -0.00    -0.04   0.02   0.01
    15   1     0.02  -0.25  -0.26    -0.01  -0.07  -0.07     0.02  -0.25  -0.26
    16   1     0.10  -0.30   0.17     0.03  -0.07   0.04     0.10  -0.30   0.17
    17   1     0.13  -0.03  -0.15    -0.41  -0.09   0.02     0.02   0.05   0.12
    18   1     0.10   0.28   0.00     0.06  -0.18   0.17    -0.10  -0.17  -0.06
    19   1    -0.13   0.07   0.15    -0.14   0.26  -0.12     0.15  -0.14  -0.07
    20   1    -0.13   0.14   0.05     0.53   0.15  -0.08     0.08  -0.31  -0.06
    21   1     0.17  -0.13  -0.14     0.00   0.12  -0.41    -0.25   0.16   0.35
    22   1    -0.19  -0.15  -0.22     0.08  -0.18   0.29     0.28   0.24   0.30
    23   1    -0.00  -0.00  -0.00     0.02   0.00  -0.00     0.02   0.01  -0.00
    24   1     0.00   0.00   0.00    -0.01  -0.00   0.00     0.01  -0.00   0.00
    25   1    -0.02   0.00  -0.01    -0.00   0.00  -0.02     0.00  -0.00   0.00
    26   1     0.02   0.00   0.01     0.03   0.01   0.01    -0.01  -0.00  -0.01
    27   1    -0.01   0.03   0.02    -0.01   0.02   0.03     0.00  -0.01  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1502.9881              1506.4665              1510.2449
 Red. masses --      1.1109                 1.0606                 1.0615
 Frc consts  --      1.4786                 1.4182                 1.4265
 IR Inten    --      2.2951                 7.2824                 6.3211
 RamAct Fr= 1--      9.9208                 4.6480                 2.0709
  Dep-P Fr= 1--      0.4111                 0.7484                 0.6044
  Dep-U Fr= 1--      0.5827                 0.8561                 0.7534
 Alpha2 Fr= 1--      0.0706                 0.0001                 0.0056
 Beta2  Fr= 1--      0.9635                 0.6632                 0.2600
 AlphaG Fr= 1--     -0.0143                -0.0009                -0.0003
 Gamma2 Fr= 1--     -0.4000                 0.6396                -0.0996
 Delta2 Fr= 1--     -0.4484                -1.0989                 0.3692
 Raman1 Fr= 1--      39.683                 18.592                  8.284
 ROA1   Fr= 1--     -52.746                 26.236                  2.250
 CID1   Fr= 1--      -1.329                  1.411                  0.272
 Raman2 Fr= 1--      11.562                  7.958                  3.121
 ROA2   Fr= 1--      -6.012                 24.141                 -5.344
 CID2   Fr= 1--      -0.520                  3.033                 -1.713
 Raman3 Fr= 1--      23.123                 15.917                  6.241
 ROA3   Fr= 1--     -52.746                 26.236                  2.250
 CID3   Fr= 1--      -2.281                  1.648                  0.361
 RC180  Fr= 1--       0.165                  0.712                  0.507
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.00  -0.04   0.01    -0.04  -0.00  -0.00
     2   6    -0.02   0.03   0.01    -0.01  -0.02  -0.02    -0.03  -0.01   0.01
     3   6     0.02  -0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   6    -0.01  -0.01   0.01    -0.01   0.00  -0.02    -0.02  -0.01   0.01
     9   6    -0.06  -0.01  -0.00    -0.02   0.00   0.00     0.03   0.01   0.00
    10   6     0.01  -0.05  -0.01     0.00  -0.03  -0.01    -0.00   0.02   0.00
    11   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1     0.37   0.16  -0.20     0.12   0.04  -0.06    -0.18  -0.09   0.10
    13   1     0.31  -0.08   0.28     0.10  -0.04   0.08    -0.15   0.05  -0.14
    14   1    -0.08   0.00  -0.00    -0.03   0.00   0.00     0.01   0.00   0.00
    15   1    -0.01   0.26   0.26    -0.01   0.19   0.19     0.01  -0.10  -0.11
    16   1    -0.09   0.28  -0.18    -0.06   0.22  -0.13     0.05  -0.11   0.07
    17   1     0.15   0.09   0.16     0.14  -0.09  -0.33     0.51   0.12  -0.01
    18   1    -0.18  -0.18  -0.18     0.18   0.48   0.02    -0.06   0.24  -0.21
    19   1     0.25  -0.27  -0.10    -0.26   0.21   0.22     0.15  -0.33   0.20
    20   1     0.12   0.08  -0.01     0.17  -0.20  -0.06     0.36   0.14  -0.05
    21   1     0.04  -0.00  -0.14    -0.16   0.13   0.15    -0.00   0.10  -0.31
    22   1    -0.02  -0.10   0.04     0.20   0.11   0.27     0.04  -0.14   0.18
    23   1     0.00   0.00   0.01    -0.02  -0.01   0.00    -0.01   0.00   0.01
    24   1     0.02   0.01   0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
    25   1    -0.01   0.00   0.01    -0.01   0.00   0.00    -0.01   0.00   0.01
    26   1    -0.02  -0.01  -0.01     0.01  -0.00   0.00    -0.01  -0.01  -0.00
    27   1     0.00  -0.00  -0.02    -0.00   0.01   0.00     0.00  -0.00  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1692.7875              1736.9267              3018.5886
 Red. masses --      5.8220                 9.8999                 1.0347
 Frc consts  --      9.8295                17.5971                 5.5549
 IR Inten    --     54.9441               283.4844                24.8928
 RamAct Fr= 1--    618.2679               325.4516                92.1170
  Dep-P Fr= 1--      0.2827                 0.3435                 0.0500
  Dep-U Fr= 1--      0.4408                 0.5114                 0.0951
 Alpha2 Fr= 1--      6.6736                 2.9175                 1.8198
 Beta2  Fr= 1--     45.4221                27.7377                 1.4608
 AlphaG Fr= 1--     -0.1025                -0.1211                -0.1369
 Gamma2 Fr= 1--     -0.7373                 3.2790                -1.0996
 Delta2 Fr= 1--      1.0480                -0.5830                -1.4885
 Raman1 Fr= 1--    2473.072               1301.806                368.468
 ROA1   Fr= 1--     -37.248                296.130               -153.196
 CID1   Fr= 1--      -0.015                  0.227                 -0.416
 Raman2 Fr= 1--     545.065                332.853                 17.530
 ROA2   Fr= 1--     -26.080                 83.361                -14.483
 CID2   Fr= 1--      -0.048                  0.250                 -0.826
 Raman3 Fr= 1--    1090.131                665.706                 35.059
 ROA3   Fr= 1--     -37.248                296.130               -153.196
 CID3   Fr= 1--      -0.034                  0.445                 -4.370
 RC180  Fr= 1--      -0.118                  0.023                 -0.810
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     2   6    -0.01  -0.00   0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.08  -0.02  -0.00     0.01   0.00   0.00     0.00  -0.00   0.00
     4   6     0.43   0.16  -0.12    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     5   6    -0.40  -0.16   0.12    -0.06  -0.03   0.03    -0.00  -0.00   0.00
     6   6    -0.00  -0.01   0.02     0.53   0.33  -0.35     0.00  -0.00   0.00
     7   8     0.05   0.02  -0.02    -0.34  -0.21   0.22    -0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.05  -0.00
     9   6     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    11   6    -0.01  -0.00   0.00    -0.03  -0.02   0.03    -0.00  -0.00   0.00
    12   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.02   0.01  -0.03
    13   1     0.00   0.01  -0.00     0.00  -0.00   0.00    -0.01  -0.01   0.02
    14   1     0.24   0.04   0.02    -0.00   0.00   0.00    -0.00   0.02  -0.03
    15   1     0.02   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.03   0.03  -0.01     0.01   0.01  -0.01    -0.00   0.00  -0.00
    17   1     0.01  -0.00  -0.01    -0.00  -0.00   0.00     0.03  -0.13   0.03
    18   1    -0.01   0.01  -0.02    -0.00   0.00  -0.00    -0.14   0.05   0.08
    19   1     0.01  -0.01   0.00    -0.00   0.00   0.00     0.13   0.10   0.04
    20   1    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.08  -0.02   0.48
    21   1     0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.44  -0.34  -0.14
    22   1    -0.01  -0.03   0.00    -0.00  -0.01   0.00     0.49  -0.17  -0.29
    23   1    -0.53  -0.00  -0.15    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    24   1     0.40  -0.03   0.17     0.30   0.05   0.01    -0.00   0.00  -0.00
    25   1     0.04  -0.02  -0.01    -0.09  -0.01   0.19     0.00   0.00   0.00
    26   1     0.03   0.02   0.02    -0.05  -0.19   0.08     0.00  -0.00  -0.00
    27   1    -0.01   0.01  -0.01     0.04   0.16  -0.25     0.00   0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3026.9186              3040.8371              3050.9400
 Red. masses --      1.0351                 1.0371                 1.0668
 Frc consts  --      5.5875                 5.6501                 5.8505
 IR Inten    --     23.9058                 4.0204                26.1464
 RamAct Fr= 1--    201.5016               156.6302                50.1324
  Dep-P Fr= 1--      0.0245                 0.0094                 0.5762
  Dep-U Fr= 1--      0.0479                 0.0186                 0.7311
 Alpha2 Fr= 1--      4.2275                 3.4051                 0.1638
 Beta2  Fr= 1--      1.6094                 0.4858                 6.1087
 AlphaG Fr= 1--     -0.0511                -0.8537                 0.1334
 Gamma2 Fr= 1--      1.8286                -0.3868                -4.4341
 Delta2 Fr= 1--      0.6603                 1.3735                -4.3993
 Raman1 Fr= 1--     806.007                626.521                200.530
 ROA1   Fr= 1--     196.671                  6.816               -566.454
 CID1   Fr= 1--       0.244                  0.011                 -2.825
 Raman2 Fr= 1--      19.312                  5.829                 73.305
 ROA2   Fr= 1--      38.603                -20.272                -71.224
 CID2   Fr= 1--       1.999                 -3.478                 -0.972
 Raman3 Fr= 1--      38.625                 11.658                146.609
 ROA3   Fr= 1--     196.671                  6.816               -566.454
 CID3   Fr= 1--       5.092                  0.585                 -3.864
 RC180  Fr= 1--      -0.904                 -0.963                  0.462
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.05     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.02  -0.04
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.05   0.00   0.01
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.02   0.01
    11   6    -0.00  -0.00   0.00    -0.01  -0.03   0.04     0.00   0.00   0.00
    12   1    -0.03   0.02  -0.05     0.00  -0.00   0.00    -0.26   0.17  -0.42
    13   1    -0.03  -0.02   0.04     0.00   0.00  -0.00    -0.31  -0.21   0.36
    14   1    -0.00   0.03  -0.05    -0.00  -0.00   0.00    -0.01  -0.27   0.53
    15   1     0.01  -0.03   0.04    -0.00   0.00  -0.00    -0.07   0.17  -0.19
    16   1    -0.00  -0.01  -0.02     0.00   0.00   0.00     0.01   0.06   0.12
    17   1    -0.11   0.49  -0.13     0.00  -0.00   0.00     0.00  -0.01   0.00
    18   1     0.47  -0.16  -0.27    -0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.43  -0.34  -0.16     0.00   0.00   0.00     0.00   0.00   0.00
    20   1     0.02  -0.01   0.14    -0.00   0.00  -0.00    -0.00   0.00  -0.02
    21   1    -0.12  -0.09  -0.04     0.00   0.00   0.00     0.01   0.01   0.00
    22   1     0.13  -0.05  -0.08    -0.00   0.00   0.00     0.01  -0.00  -0.01
    23   1     0.00  -0.01   0.02     0.00  -0.01   0.02    -0.00   0.02  -0.03
    24   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.01  -0.01
    25   1     0.00   0.00   0.00     0.16   0.62   0.07    -0.00  -0.00  -0.00
    26   1     0.00  -0.00  -0.00     0.35  -0.26  -0.48     0.00   0.00   0.00
    27   1    -0.00  -0.00  -0.00    -0.38  -0.03  -0.08    -0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3055.1192              3060.4671              3077.2194
 Red. masses --      1.0740                 1.0623                 1.1013
 Frc consts  --      5.9065                 5.8621                 6.1445
 IR Inten    --     26.2822                28.6226                11.8422
 RamAct Fr= 1--    252.2525               118.4261                55.4809
  Dep-P Fr= 1--      0.0526                 0.0869                 0.6879
  Dep-U Fr= 1--      0.1000                 0.1600                 0.8151
 Alpha2 Fr= 1--      4.9518                 2.1405                 0.0605
 Beta2  Fr= 1--      4.2029                 3.1578                 7.5370
 AlphaG Fr= 1--     -0.6546                -0.1727                -0.0123
 Gamma2 Fr= 1--      2.7301                 5.9417                 6.3782
 Delta2 Fr= 1--     -1.2014                -8.9351                 2.4220
 Raman1 Fr= 1--    1009.010                473.704                221.923
 ROA1   Fr= 1--     223.647                284.480                689.814
 CID1   Fr= 1--       0.222                  0.601                  3.108
 Raman2 Fr= 1--      50.435                 37.893                 90.444
 ROA2   Fr= 1--      75.135                214.081                133.702
 CID2   Fr= 1--       1.490                  5.650                  1.478
 Raman3 Fr= 1--     100.870                 75.786                180.889
 ROA3   Fr= 1--     223.647                284.480                689.814
 CID3   Fr= 1--       2.217                  3.754                  3.813
 RC180  Fr= 1--      -0.800                 -0.680                  0.630
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.01  -0.00     0.02   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.03  -0.05    -0.00   0.01  -0.02     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00   0.01   0.01    -0.00  -0.00   0.00    -0.08  -0.02   0.02
     9   6    -0.04  -0.00  -0.01     0.01  -0.00   0.01    -0.00  -0.00   0.00
    10   6     0.00  -0.01   0.02    -0.02   0.06  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1     0.26  -0.16   0.41    -0.09   0.05  -0.14    -0.01   0.00  -0.01
    13   1     0.25   0.17  -0.29    -0.00  -0.00   0.01     0.01   0.01  -0.02
    14   1    -0.01  -0.32   0.64    -0.00  -0.13   0.26     0.00   0.02  -0.03
    15   1    -0.05   0.13  -0.14     0.20  -0.49   0.55    -0.00   0.01  -0.01
    16   1    -0.00  -0.03  -0.05    -0.02  -0.23  -0.48     0.00   0.01   0.03
    17   1    -0.01   0.04  -0.01    -0.01   0.04  -0.01     0.00   0.03  -0.01
    18   1     0.03  -0.01  -0.02    -0.05   0.02   0.03    -0.16   0.06   0.10
    19   1    -0.05  -0.04  -0.02     0.03   0.02   0.01    -0.13  -0.10  -0.05
    20   1    -0.00  -0.00  -0.02    -0.01   0.00  -0.03    -0.03   0.00  -0.06
    21   1    -0.05  -0.04  -0.01     0.01   0.01   0.00     0.49   0.41   0.16
    22   1     0.07  -0.03  -0.04     0.02  -0.01  -0.01     0.56  -0.22  -0.34
    23   1    -0.00   0.02  -0.03    -0.00   0.02  -0.03     0.00  -0.01   0.01
    24   1    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3086.9332              3087.1375              3091.0159
 Red. masses --      1.1014                 1.1020                 1.1009
 Frc consts  --      6.1837                 6.1877                 6.1972
 IR Inten    --     44.1205                17.0886                36.1633
 RamAct Fr= 1--    115.9352                46.4177                57.9627
  Dep-P Fr= 1--      0.7071                 0.6927                 0.7347
  Dep-U Fr= 1--      0.8284                 0.8184                 0.8470
 Alpha2 Fr= 1--      0.0863                 0.0466                 0.0152
 Beta2  Fr= 1--     16.0075                 6.3315                 8.1828
 AlphaG Fr= 1--      0.0120                -0.3013                 0.0667
 Gamma2 Fr= 1--     12.6826                16.7142                -4.2361
 Delta2 Fr= 1--      3.8623                16.0544               -11.0475
 Raman1 Fr= 1--     463.741                185.671                231.851
 ROA1   Fr= 1--    1341.126               2118.305               -760.182
 CID1   Fr= 1--       2.892                 11.409                 -3.279
 Raman2 Fr= 1--     192.090                 75.978                 98.194
 ROA2   Fr= 1--     273.485                272.706                -13.286
 CID2   Fr= 1--       1.424                  3.589                 -0.135
 Raman3 Fr= 1--     384.180                151.957                196.387
 ROA3   Fr= 1--    1341.126               2118.305               -760.182
 CID3   Fr= 1--       3.491                 13.940                 -3.871
 RC180  Fr= 1--       0.657                  0.637                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.01   0.01     0.00   0.03   0.00    -0.00  -0.09  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     7   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     8   6    -0.02  -0.00   0.00    -0.01  -0.02  -0.08    -0.01  -0.01  -0.02
     9   6     0.00   0.00  -0.01    -0.00  -0.01   0.02    -0.00   0.00  -0.00
    10   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   1     0.03  -0.02   0.05    -0.07   0.04  -0.10     0.03  -0.02   0.04
    13   1    -0.03  -0.02   0.04     0.11   0.07  -0.12    -0.01  -0.01   0.02
    14   1     0.00   0.00  -0.00    -0.00  -0.03   0.07    -0.00  -0.01   0.02
    15   1     0.00  -0.00   0.00     0.00  -0.01   0.01    -0.01   0.01  -0.02
    16   1    -0.00  -0.03  -0.06     0.00  -0.00  -0.00     0.00   0.03   0.07
    17   1     0.02  -0.19   0.06     0.05  -0.21   0.06    -0.17   0.73  -0.21
    18   1     0.61  -0.22  -0.37     0.04  -0.01  -0.02    -0.16   0.03   0.10
    19   1     0.41   0.34   0.17    -0.11  -0.08  -0.04     0.39   0.28   0.15
    20   1    -0.00  -0.00   0.01     0.14  -0.06   0.79     0.04  -0.02   0.24
    21   1     0.14   0.12   0.05     0.28   0.22   0.07     0.11   0.09   0.03
    22   1     0.15  -0.06  -0.09    -0.24   0.09   0.13    -0.06   0.02   0.03
    23   1    -0.00   0.02  -0.03    -0.00   0.01  -0.02     0.00  -0.01   0.02
    24   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    26   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    27   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3095.5215              3096.6035              3113.7915
 Red. masses --      1.1066                 1.0993                 1.1071
 Frc consts  --      6.2475                 6.2105                 6.3243
 IR Inten    --     21.5533                 8.4025                47.4700
 RamAct Fr= 1--    124.0727                35.8395               114.0297
  Dep-P Fr= 1--      0.4763                 0.7483                 0.5431
  Dep-U Fr= 1--      0.6453                 0.8560                 0.7039
 Alpha2 Fr= 1--      0.6816                 0.0010                 0.4529
 Beta2  Fr= 1--     13.3433                 5.1134                13.3782
 AlphaG Fr= 1--      0.5016                -0.0647                 0.1339
 Gamma2 Fr= 1--     -4.4200                -0.9937                -8.2795
 Delta2 Fr= 1--     14.3439                -1.3289               -14.3833
 Raman1 Fr= 1--     496.291                143.358                456.119
 ROA1   Fr= 1--      34.681               -137.918              -1255.096
 CID1   Fr= 1--       0.070                 -0.962                 -2.752
 Raman2 Fr= 1--     160.119                 61.360                160.539
 ROA2   Fr= 1--    -220.832                -13.217                -83.642
 CID2   Fr= 1--      -1.379                 -0.215                 -0.521
 Raman3 Fr= 1--     320.238                122.721                321.078
 ROA3   Fr= 1--      34.681               -137.918              -1255.096
 CID3   Fr= 1--       0.108                 -1.124                 -3.909
 RC180  Fr= 1--       0.291                  0.712                  0.408
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.01    -0.00   0.00   0.00     0.00   0.01  -0.01
     4   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   8     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     9   6     0.01   0.04  -0.07     0.00   0.00  -0.00    -0.00   0.02  -0.04
    10   6     0.00   0.01   0.04     0.00  -0.00   0.00    -0.01   0.00  -0.08
    11   6     0.00   0.00   0.00     0.02  -0.08  -0.05     0.00   0.00   0.00
    12   1     0.28  -0.16   0.42     0.00  -0.00   0.00     0.19  -0.11   0.28
    13   1    -0.41  -0.26   0.43    -0.00  -0.00   0.00    -0.19  -0.12   0.20
    14   1     0.00   0.03  -0.06     0.00  -0.00   0.00    -0.00  -0.06   0.11
    15   1    -0.04   0.11  -0.11    -0.00   0.00  -0.00     0.14  -0.34   0.36
    16   1    -0.02  -0.21  -0.40     0.00  -0.00   0.00     0.02   0.32   0.60
    17   1     0.01  -0.04   0.01    -0.00   0.00  -0.00     0.02  -0.07   0.02
    18   1    -0.06   0.03   0.04     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    19   1    -0.07  -0.06  -0.03     0.00   0.00   0.00    -0.04  -0.03  -0.01
    20   1     0.03  -0.01   0.15     0.00  -0.00   0.00     0.01  -0.01   0.06
    21   1     0.06   0.05   0.02     0.00   0.00   0.00     0.02   0.01   0.00
    22   1    -0.05   0.02   0.02    -0.00   0.00   0.00    -0.01   0.00   0.01
    23   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.03  -0.05
    24   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    25   1    -0.00  -0.00  -0.00     0.19   0.68   0.06     0.00   0.00   0.00
    26   1     0.00  -0.00  -0.00    -0.39   0.26   0.53     0.00  -0.00  -0.00
    27   1    -0.00  -0.00  -0.00     0.00  -0.02  -0.01    -0.00  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3145.2081              3147.1515              3158.3821
 Red. masses --      1.0953                 1.0952                 1.0873
 Frc consts  --      6.3840                 6.3910                 6.3906
 IR Inten    --     13.0724                 4.9024                12.1865
 RamAct Fr= 1--     92.2632                71.0966                39.9100
  Dep-P Fr= 1--      0.2355                 0.6963                 0.2239
  Dep-U Fr= 1--      0.3813                 0.8210                 0.3658
 Alpha2 Fr= 1--      1.1383                 0.0666                 0.5083
 Beta2  Fr= 1--      5.8627                 9.7283                 2.4335
 AlphaG Fr= 1--      0.1265                -0.0206                 0.4274
 Gamma2 Fr= 1--     -3.4665                -3.9648                 5.6147
 Delta2 Fr= 1--     -0.3154                -4.4452                 3.0980
 Raman1 Fr= 1--     369.053                284.386                159.640
 ROA1   Fr= 1--    -342.872               -522.865                638.149
 CID1   Fr= 1--      -0.929                 -1.839                  3.997
 Raman2 Fr= 1--      70.352                116.740                 29.202
 ROA2   Fr= 1--     -80.672                -59.593                109.970
 CID2   Fr= 1--      -1.147                 -0.510                  3.766
 Raman3 Fr= 1--     140.704                233.480                 58.404
 ROA3   Fr= 1--    -342.872               -522.865                638.149
 CID3   Fr= 1--      -2.437                 -2.239                 10.926
 RC180  Fr= 1--      -0.237                  0.642                 -0.268
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.03  -0.05     0.00  -0.03   0.05    -0.01   0.01  -0.02
     5   6    -0.00  -0.01   0.02     0.00   0.01  -0.02    -0.01   0.04  -0.07
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     9   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.06  -0.01  -0.00    -0.06  -0.01  -0.00     0.01   0.00   0.00
    12   1     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.00  -0.00   0.00
    13   1    -0.01  -0.00   0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
    14   1    -0.00  -0.02   0.04     0.00   0.02  -0.04     0.00  -0.02   0.04
    15   1     0.01  -0.02   0.02    -0.01   0.02  -0.02     0.00  -0.01   0.01
    16   1     0.00   0.01   0.01    -0.00  -0.01  -0.01     0.00   0.00   0.01
    17   1     0.01  -0.03   0.01    -0.01   0.03  -0.01     0.00  -0.01   0.00
    18   1     0.01  -0.00  -0.01    -0.01   0.00   0.01     0.01  -0.00  -0.00
    19   1     0.01   0.01   0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    20   1     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.00  -0.00   0.00
    21   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1     0.07  -0.34   0.57    -0.07   0.34  -0.56     0.03  -0.17   0.29
    24   1    -0.02   0.10  -0.16     0.02  -0.15   0.24     0.08  -0.48   0.80
    25   1     0.04   0.18   0.02     0.04   0.19   0.02    -0.00  -0.02  -0.00
    26   1     0.09  -0.07  -0.14     0.10  -0.08  -0.15    -0.01   0.01   0.01
    27   1     0.65   0.04   0.15     0.61   0.04   0.14    -0.06  -0.00  -0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   843.955453611.893103665.80758
           X            0.99982  -0.01289   0.01425
           Y            0.01449   0.99285  -0.11849
           Z           -0.01262   0.11868   0.99285
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10263     0.02398     0.02363
 Rotational constants (GHZ):           2.13843     0.49967     0.49232
 Zero-point vibrational energy     622373.4 (Joules/Mol)
                                  148.75082 (Kcal/Mol)
 Warning -- explicit consideration of  19 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     49.01    92.74   116.65   178.79   211.82
          (Kelvin)            231.74   318.28   352.76   391.11   417.78
                              453.79   505.84   535.33   587.96   653.60
                              759.66   827.84   843.10   890.07  1053.90
                             1146.59  1190.02  1242.70  1268.28  1313.73
                             1370.00  1386.67  1397.88  1436.54  1452.40
                             1473.45  1477.96  1511.57  1580.31  1667.87
                             1703.14  1726.54  1762.33  1793.07  1810.48
                             1835.88  1840.41  1853.49  1893.60  1924.37
                             1995.95  2002.04  2022.34  2045.42  2117.07
                             2129.35  2134.39  2139.22  2148.11  2162.46
                             2167.47  2172.91  2435.54  2499.05  4343.08
                             4355.06  4375.09  4389.62  4395.64  4403.33
                             4427.43  4441.41  4441.70  4447.28  4453.77
                             4455.32  4480.05  4525.25  4528.05  4544.21
 
 Zero-point correction=                           0.237050 (Hartree/Particle)
 Thermal correction to Energy=                    0.249526
 Thermal correction to Enthalpy=                  0.250471
 Thermal correction to Gibbs Free Energy=         0.198060
 Sum of electronic and zero-point Energies=           -465.874976
 Sum of electronic and thermal Energies=              -465.862500
 Sum of electronic and thermal Enthalpies=            -465.861555
 Sum of electronic and thermal Free Energies=         -465.913966
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.580             46.421            110.307
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.792
 Vibrational            154.803             40.460             38.546
 Vibration     1          0.594              1.983              5.577
 Vibration     2          0.597              1.971              4.316
 Vibration     3          0.600              1.962              3.865
 Vibration     4          0.610              1.929              3.033
 Vibration     5          0.617              1.906              2.708
 Vibration     6          0.622              1.890              2.537
 Vibration     7          0.648              1.809              1.949
 Vibration     8          0.660              1.771              1.765
 Vibration     9          0.675              1.725              1.585
 Vibration    10          0.686              1.692              1.472
 Vibration    11          0.703              1.644              1.334
 Vibration    12          0.728              1.572              1.159
 Vibration    13          0.744              1.530              1.071
 Vibration    14          0.773              1.451              0.931
 Vibration    15          0.813              1.351              0.783
 Vibration    16          0.883              1.188              0.592
 Vibration    17          0.932              1.085              0.494
 Vibration    18          0.943              1.062              0.474
 Vibration    19          0.978              0.993              0.419
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.791857D-91        -91.101353       -209.768618
 Total V=0       0.858544D+18         17.933763         41.294014
 Vib (Bot)       0.897336-105       -105.047045       -241.879760
 Vib (Bot)    1  0.607621D+01          0.783633          1.804381
 Vib (Bot)    2  0.320185D+01          0.505400          1.163727
 Vib (Bot)    3  0.253961D+01          0.404767          0.932010
 Vib (Bot)    4  0.164286D+01          0.215601          0.496439
 Vib (Bot)    5  0.137842D+01          0.139382          0.320939
 Vib (Bot)    6  0.125472D+01          0.098548          0.226914
 Vib (Bot)    7  0.893695D+00         -0.048811         -0.112391
 Vib (Bot)    8  0.797824D+00         -0.098093         -0.225867
 Vib (Bot)    9  0.710284D+00         -0.148568         -0.342091
 Vib (Bot)   10  0.658454D+00         -0.181474         -0.417860
 Vib (Bot)   11  0.597648D+00         -0.223555         -0.514754
 Vib (Bot)   12  0.524235D+00         -0.280474         -0.645816
 Vib (Bot)   13  0.488615D+00         -0.311033         -0.716179
 Vib (Bot)   14  0.433378D+00         -0.363133         -0.836145
 Vib (Bot)   15  0.376187D+00         -0.424597         -0.977670
 Vib (Bot)   16  0.303468D+00         -0.517888         -1.192480
 Vib (Bot)   17  0.266065D+00         -0.575013         -1.324016
 Vib (Bot)   18  0.258483D+00         -0.587569         -1.352927
 Vib (Bot)   19  0.236735D+00         -0.625738         -1.440815
 Vib (V=0)       0.972906D+04          3.988071          9.182873
 Vib (V=0)    1  0.659674D+01          0.819330          1.886576
 Vib (V=0)    2  0.374065D+01          0.572947          1.319259
 Vib (V=0)    3  0.308836D+01          0.489728          1.127641
 Vib (V=0)    4  0.221726D+01          0.345817          0.796274
 Vib (V=0)    5  0.196630D+01          0.293651          0.676156
 Vib (V=0)    6  0.185068D+01          0.267331          0.615551
 Vib (V=0)    7  0.152406D+01          0.183001          0.421375
 Vib (V=0)    8  0.144155D+01          0.158831          0.365722
 Vib (V=0)    9  0.136862D+01          0.136283          0.313804
 Vib (V=0)   10  0.132678D+01          0.122798          0.282753
 Vib (V=0)   11  0.127922D+01          0.106945          0.246250
 Vib (V=0)   12  0.122445D+01          0.087940          0.202489
 Vib (V=0)   13  0.119910D+01          0.078857          0.181574
 Vib (V=0)   14  0.116168D+01          0.065085          0.149865
 Vib (V=0)   15  0.112571D+01          0.051428          0.118416
 Vib (V=0)   16  0.108489D+01          0.035384          0.081476
 Vib (V=0)   17  0.106638D+01          0.027913          0.064273
 Vib (V=0)   18  0.106286D+01          0.026477          0.060965
 Vib (V=0)   19  0.105321D+01          0.022516          0.051844
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.119662D+07          6.077958         13.995015
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000623    0.000001577   -0.000010218
      2        6           0.000000364    0.000005236    0.000014082
      3        6           0.000011646   -0.000017672    0.000000215
      4        6          -0.000006996   -0.000000011   -0.000002841
      5        6           0.000003620    0.000003802    0.000004609
      6        6          -0.000002788   -0.000003071   -0.000004579
      7        8           0.000002972   -0.000002417   -0.000000334
      8        6           0.000000540    0.000000126   -0.000002976
      9        6          -0.000007236   -0.000006732   -0.000008124
     10        6           0.000001202    0.000010782   -0.000001716
     11        6          -0.000003315    0.000010474    0.000007335
     12        1           0.000000874   -0.000000976    0.000001433
     13        1           0.000003202   -0.000001899    0.000001436
     14        1          -0.000002896    0.000002071   -0.000000052
     15        1          -0.000002023    0.000000394    0.000002436
     16        1           0.000001629   -0.000002115    0.000001187
     17        1          -0.000000234    0.000001008   -0.000000339
     18        1          -0.000000196    0.000001281    0.000000155
     19        1           0.000000246    0.000001635    0.000001388
     20        1           0.000000053   -0.000002817    0.000000734
     21        1          -0.000001050   -0.000001172   -0.000001506
     22        1          -0.000000511   -0.000000857   -0.000001081
     23        1          -0.000001053    0.000002077    0.000000629
     24        1          -0.000000859   -0.000000530    0.000000786
     25        1           0.000003208    0.000000888   -0.000002714
     26        1           0.000000098   -0.000002125   -0.000001185
     27        1           0.000000124    0.000001043    0.000001239
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000017672 RMS     0.000004327
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.179637D+03  0.852422D+01 -0.366491D+01
      2   0.852422D+01  0.114220D+03 -0.469657D+01
      3  -0.366491D+01 -0.469657D+01  0.115202D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.738982D+01  0.107437D+02  0.288525D+01
      2   0.233417D+02 -0.178771D+02 -0.207917D+02
      3  -0.324891D+02  0.410030D+02  0.248483D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.885049D+02  0.511157D+02 -0.176094D+02
      2  -0.624661D+02 -0.366666D+02 -0.177363D+02
      3  -0.260388D+02 -0.144491D+02  0.353458D+02
      4   0.422710D+02 -0.916536D+02 -0.575039D+02
      5  -0.963665D+01 -0.600965D+02 -0.414562D+02
      6  -0.330441D+02  0.784949D+00  0.199983D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.383677D+01 -0.339234D+01 -0.546107D+01 -0.420952D+01 -0.254644D+01
      2  -0.339234D+01 -0.237978D+01  0.158238D+00 -0.254644D+01  0.360210D+01
      3  -0.546107D+01  0.158238D+00  0.218057D+01  0.495897D+00 -0.357597D+01
                 6             7             8             9            10 
      1   0.495897D+00 -0.410288D+01  0.587813D+00  0.243085D+01 -0.273761D+02
      2  -0.357597D+01  0.587813D+00 -0.245446D+01 -0.148926D+01  0.548402D+01
      3  -0.105658D+01  0.243085D+01 -0.148926D+01  0.303831D+01  0.626090D+01
                11            12            13            14            15 
      1   0.548402D+01  0.626090D+01  0.892535D+01  0.411149D+00 -0.122380D+01
      2   0.204017D+01 -0.358029D-01  0.411149D+00 -0.128016D+01  0.273431D+01
      3  -0.358029D-01 -0.273714D+01 -0.122380D+01  0.273431D+01  0.201139D+01
                16            17            18            19            20 
      1   0.197539D+02 -0.116063D+01 -0.475268D+01  0.539564D+02  0.192775D+01
      2  -0.116063D+01  0.373750D+01  0.288246D+01  0.192775D+01  0.463449D+01
      3  -0.475268D+01  0.288246D+01 -0.388440D+01 -0.313632D+01  0.188178D+01
                21            22            23            24            25 
      1  -0.313632D+01 -0.368146D+01  0.790990D+01  0.450466D+01 -0.865703D+01
      2   0.188178D+01  0.790990D+01  0.185306D+01  0.690233D+00  0.335388D+01
      3   0.177507D+01  0.450466D+01  0.690233D+00 -0.425026D+01  0.293569D+01
                26            27            28            29            30 
      1   0.335388D+01  0.293569D+01 -0.669292D+02 -0.642309D+01  0.346752D+01
      2  -0.100251D+00 -0.362669D+01 -0.642309D+01 -0.386345D+01 -0.695074D+00
      3  -0.362669D+01  0.275766D+01  0.346752D+01 -0.695074D+00 -0.227875D+01
                31            32            33            34            35 
      1  -0.154290D+02 -0.662692D+01 -0.868678D+00  0.876243D+01  0.194793D+00
      2  -0.662692D+01 -0.397440D+01 -0.133691D+01  0.194793D+00 -0.180171D+00
      3  -0.868678D+00 -0.133691D+01  0.189102D+01 -0.443525D+01  0.205557D+01
                36            37            38            39            40 
      1  -0.443525D+01  0.616438D+02  0.880035D+01 -0.504822D+01  0.158681D+02
      2   0.205557D+01  0.880035D+01  0.287324D+01  0.452467D+00  0.535527D+01
      3  -0.131096D+01 -0.504822D+01  0.452467D+00  0.817585D+00  0.856504D-01
                41            42            43            44            45 
      1   0.535527D+01  0.856504D-01 -0.818007D+01  0.406155D-03  0.346246D+01
      2   0.316402D+01  0.107019D+01  0.406155D-03  0.148485D-02 -0.318921D+01
      3   0.107019D+01 -0.317043D+01  0.346246D+01 -0.318921D+01  0.134168D+01
                46            47            48            49            50 
      1  -0.444050D+02 -0.902864D+01  0.537164D+01 -0.129187D+02 -0.302857D+01
      2  -0.902864D+01 -0.120039D+01  0.180224D+01 -0.302857D+01 -0.801493D+00
      3   0.537164D+01  0.180224D+01 -0.265600D+00  0.276843D+01 -0.613000D+00
                51            52            53            54            55 
      1   0.276843D+01  0.637997D+01  0.288044D+01 -0.187704D+01  0.392623D+02
      2  -0.613000D+00  0.288044D+01 -0.153911D+00  0.195594D+01  0.740675D+01
      3   0.216928D+01 -0.187704D+01  0.195594D+01 -0.268832D+01 -0.508066D+01
                56            57            58            59            60 
      1   0.740675D+01 -0.508066D+01  0.192252D+02  0.775890D+01 -0.146242D+01
      2   0.237809D+01 -0.125412D+01  0.775890D+01  0.487430D+01 -0.178094D+01
      3  -0.125412D+01  0.197731D+01 -0.146242D+01 -0.178094D+01  0.300539D+00
                61            62            63            64            65 
      1  -0.208245D+02 -0.350365D+01  0.556751D+01  0.878866D+01 -0.529760D+01
      2  -0.350365D+01 -0.110406D+01  0.144300D+01 -0.529760D+01 -0.218971D+01
      3   0.556751D+01  0.144300D+01 -0.340049D+01 -0.322242D+01  0.563288D+00
                66            67            68            69            70 
      1  -0.322242D+01 -0.443202D+01 -0.175338D+01  0.788911D+00 -0.755111D+01
      2   0.563288D+00 -0.175338D+01  0.713050D+00 -0.242545D+01  0.112376D+01
      3   0.216228D+01  0.788911D+00 -0.242545D+01 -0.884390D+00  0.307000D+01
                71            72            73            74            75 
      1   0.112376D+01  0.307000D+01  0.724687D+00  0.117236D+01 -0.566723D+00
      2  -0.280225D+01 -0.257970D+01  0.117236D+01 -0.356897D+01 -0.339151D+01
      3  -0.257970D+01  0.613847D+01 -0.566723D+00 -0.339151D+01  0.218811D+01
                76            77            78            79            80 
      1   0.184292D+01 -0.320199D+01 -0.472625D+01 -0.152975D+01 -0.442459D+01
      2  -0.320199D+01 -0.245164D+01 -0.145630D+01 -0.442459D+01 -0.193209D+01
      3  -0.472625D+01 -0.145630D+01 -0.135109D+01  0.388822D+01 -0.716734D+00
                81            82            83            84            85 
      1   0.388822D+01 -0.100939D+02 -0.724843D+01 -0.236346D+01 -0.987107D+01
      2  -0.716734D+00 -0.724843D+01 -0.279173D+01  0.106397D+01 -0.519449D+01
      3   0.146878D+01 -0.236346D+01  0.106397D+01  0.182719D-01  0.234262D+00
                86            87            88            89            90 
      1  -0.519449D+01  0.234262D+00  0.526884D+01  0.220966D+01  0.142783D-01
      2   0.104229D+01  0.206803D+00  0.220966D+01  0.131960D+01  0.532693D+01
      3   0.206803D+00  0.364108D+01  0.142783D-01  0.532693D+01  0.232870D+01
                91            92            93            94            95 
      1  -0.977879D+01 -0.748982D+00 -0.293907D+01 -0.233902D+01  0.145148D+01
      2  -0.748982D+00  0.254290D+01 -0.412944D+00  0.145148D+01  0.442604D+01
      3  -0.293907D+01 -0.412944D+00  0.336498D+01 -0.104510D+01  0.871892D-01
                96            97            98            99           100 
      1  -0.104510D+01 -0.895592D+00 -0.917142D+00  0.324426D+01 -0.524490D+01
      2   0.871892D-01 -0.917142D+00  0.795632D+00 -0.256920D+01  0.194074D+00
      3  -0.290529D+01  0.324426D+01 -0.256920D+01  0.208583D+00 -0.267848D+01
               101           102           103           104           105 
      1   0.194074D+00 -0.267848D+01  0.165052D+01 -0.852906D+00  0.138370D+01
      2  -0.611636D+00  0.439544D+00 -0.852906D+00  0.849783D+00 -0.627486D+00
      3   0.439544D+00 -0.236973D+01  0.138370D+01 -0.627486D+00  0.134275D+01
               106           107           108           109           110 
      1  -0.435037D+01  0.826971D+00 -0.388971D+01 -0.729412D+01 -0.249413D+01
      2   0.826971D+00 -0.126194D+01  0.306741D+00 -0.249413D+01 -0.138239D+01
      3  -0.388971D+01  0.306741D+00 -0.457932D+01  0.219961D+01  0.102587D+01
               111           112           113           114           115 
      1   0.219961D+01 -0.261709D+01 -0.207654D+01  0.132337D+01  0.524521D+01
      2   0.102587D+01 -0.207654D+01 -0.184571D+01  0.961463D+00  0.211452D+01
      3  -0.179646D+01  0.132337D+01  0.961463D+00 -0.828235D+00 -0.331894D+01
               116           117           118           119           120 
      1   0.211452D+01 -0.331894D+01  0.835604D-01  0.591377D+00 -0.667008D+00
      2   0.184015D+01 -0.109625D+01  0.591377D+00 -0.235995D+00 -0.257245D+00
      3  -0.109625D+01  0.249943D+01 -0.667008D+00 -0.257245D+00 -0.318807D-01
               121           122           123           124           125 
      1   0.207858D+01 -0.579453D+00 -0.541909D-01 -0.680927D+00  0.603435D-01
      2  -0.579453D+00  0.126514D+01 -0.138565D+01  0.603435D-01 -0.178288D+01
      3  -0.541909D-01 -0.138565D+01  0.228029D+01 -0.583149D+00  0.164068D+01
               126           127           128           129           130 
      1  -0.583149D+00  0.102746D+01 -0.317588D+00  0.634522D+00  0.144974D+00
      2   0.164068D+01 -0.317588D+00  0.167072D+01 -0.526885D+00  0.690645D+00
      3  -0.603494D+01  0.634522D+00 -0.526885D+00  0.529557D+00 -0.354100D+00
               131           132           133           134           135 
      1   0.690645D+00 -0.354100D+00  0.122687D+01 -0.397523D+00  0.170382D+00
      2  -0.546446D+01  0.165828D+01 -0.397523D+00  0.350295D+01 -0.229239D+01
      3   0.165828D+01 -0.171773D+01  0.170382D+00 -0.229239D+01  0.208138D+01
               136           137           138           139           140 
      1   0.145296D+01 -0.245631D+00 -0.702189D+00  0.191013D+01 -0.450171D+00
      2  -0.245631D+00  0.235975D+00 -0.133641D+00 -0.450171D+00 -0.452994D+01
      3  -0.702189D+00 -0.133641D+00 -0.504970D-01 -0.591918D+00 -0.296873D+01
               141           142           143           144           145 
      1  -0.591918D+00 -0.252193D+01 -0.147757D+01 -0.116189D+01  0.488353D+00
      2  -0.296873D+01 -0.147757D+01 -0.501311D+01 -0.509080D+01 -0.585078D+00
      3  -0.277396D+01 -0.116189D+01 -0.509080D+01 -0.643379D+01  0.904328D+00
               146           147           148           149           150 
      1  -0.585078D+00  0.904328D+00 -0.687855D+00  0.935075D+00 -0.164521D+00
      2   0.930552D+00 -0.337361D+00  0.935075D+00 -0.549638D+01  0.248065D+01
      3  -0.337361D+00  0.354569D+00 -0.164521D+00  0.248065D+01 -0.295119D+01
               151           152           153           154           155 
      1   0.579821D+00 -0.229711D+00  0.547738D-01 -0.661164D+01  0.163882D+01
      2  -0.229711D+00  0.168274D+01 -0.144160D+01  0.163882D+01 -0.111040D+01
      3   0.547738D-01 -0.144160D+01  0.150422D+01  0.446076D+01 -0.100137D+01
               156           157           158           159           160 
      1   0.446076D+01  0.148791D+01 -0.102912D+01 -0.103641D+01  0.207328D+01
      2  -0.100137D+01 -0.102912D+01  0.747661D+00  0.145252D+01 -0.767789D+00
      3  -0.443470D+01 -0.103641D+01  0.145252D+01  0.156485D+01 -0.293992D+01
               161           162           163           164           165 
      1  -0.767789D+00 -0.293992D+01  0.361920D+01  0.176754D+01  0.172290D+01
      2   0.813047D+00  0.100600D+01  0.176754D+01  0.196158D+01  0.116978D+01
      3   0.100600D+01  0.375276D+01  0.172290D+01  0.116978D+01  0.242603D+01
               166           167           168           169           170 
      1   0.168769D+01  0.149242D+01  0.859204D+00  0.558232D+00  0.549165D+00
      2   0.149242D+01  0.218644D+01  0.183062D+01  0.549165D+00  0.990925D+00
      3   0.859204D+00  0.183062D+01  0.223445D+01  0.996673D+00  0.110026D+01
               171           172           173           174           175 
      1   0.996673D+00 -0.158761D+01  0.102644D+01 -0.879201D+00  0.529818D+00
      2   0.110026D+01  0.102644D+01 -0.200495D+00  0.282508D+00 -0.132475D+00
      3   0.184506D+01 -0.879201D+00  0.282508D+00 -0.122160D+01  0.202069D+00
               176           177           178           179           180 
      1  -0.132475D+00  0.202069D+00 -0.138455D+01  0.906282D+00 -0.218511D+01
      2   0.572839D+00 -0.896259D+00  0.906282D+00 -0.225919D+01  0.222858D+01
      3  -0.896259D+00  0.620637D+00 -0.218511D+01  0.222858D+01 -0.745984D+01
               181           182           183           184           185 
      1   0.217227D+01  0.210372D+01  0.774193D+00  0.156759D+01  0.165975D+01
      2   0.210372D+01  0.442330D+01  0.481864D+00  0.165975D+01  0.525285D+01
      3   0.774193D+00  0.481864D+00  0.826658D+00  0.296682D+00  0.801877D+00
               186           187           188           189           190 
      1   0.296682D+00  0.100808D+01  0.164267D+00  0.192769D+00 -0.805820D+01
      2   0.801877D+00  0.164267D+00  0.166067D+01  0.122551D+01  0.443291D+01
      3   0.855985D+00  0.192769D+00  0.122551D+01  0.199291D+00  0.228149D+01
               191           192           193           194           195 
      1   0.443291D+01  0.228149D+01  0.882781D+00 -0.221019D+01 -0.809525D+00
      2  -0.301999D+01 -0.998921D+00 -0.221019D+01  0.235242D+01  0.963162D+00
      3  -0.998921D+00 -0.182266D+01 -0.809525D+00  0.963162D+00  0.612593D+00
               196           197           198           199           200 
      1   0.421342D+01 -0.205911D+01 -0.225365D+01 -0.154782D+01 -0.947385D+00
      2  -0.205911D+01  0.232909D+01  0.145656D+01 -0.947385D+00 -0.513823D-01
      3  -0.225365D+01  0.145656D+01  0.133253D+01  0.115190D+01 -0.218065D+00
               201           202           203           204           205 
      1   0.115190D+01 -0.163511D+01  0.946541D+00  0.332432D+00  0.147351D+01
      2  -0.218065D+00  0.946541D+00 -0.126293D+01  0.148582D+01  0.425105D+00
      3   0.315315D+00  0.332432D+00  0.148582D+01 -0.182729D+01  0.539280D+00
               206           207           208           209           210 
      1   0.425105D+00  0.539280D+00  0.851555D+00  0.632327D+00 -0.818247D+00
      2   0.161390D+01 -0.179229D+01  0.632327D+00  0.903739D-01 -0.286131D-01
      3  -0.179229D+01  0.376838D+01 -0.818247D+00 -0.286131D-01 -0.595374D-02
               211           212           213           214           215 
      1   0.123282D+01 -0.385056D-01 -0.398266D+00 -0.158959D+01 -0.300616D+00
      2  -0.385056D-01  0.199006D+01 -0.199477D+01 -0.300616D+00 -0.209372D+01
      3  -0.398266D+00 -0.199477D+01  0.292486D+01  0.950716D-01  0.265509D+01
               216           217           218           219           220 
      1   0.950716D-01  0.104981D+01 -0.606476D+00  0.777599D-01 -0.252760D+01
      2   0.265509D+01 -0.606476D+00 -0.124458D+01  0.293514D+00  0.529654D+00
      3  -0.598109D+01  0.777599D-01  0.293514D+00 -0.955647D+00 -0.780914D+00
               221           222           223           224           225 
      1   0.529654D+00 -0.780914D+00  0.792637D+00  0.230757D+00 -0.760310D-01
      2  -0.785034D+01  0.102477D+01  0.230757D+00 -0.491502D+00 -0.574008D+00
      3   0.102477D+01 -0.159760D+01 -0.760310D-01 -0.574008D+00  0.346147D+00
               226           227           228           229           230 
      1  -0.425290D+00  0.757024D+00  0.104013D+01  0.767816D+00 -0.389000D+00
      2   0.757024D+00 -0.103638D+01 -0.153713D+00 -0.389000D+00  0.444679D+00
      3   0.104013D+01 -0.153713D+00 -0.295455D+01 -0.955448D-01  0.121737D+01
               231           232           233           234           235 
      1  -0.955448D-01  0.305575D+01 -0.440757D+00 -0.534813D+00  0.103948D+02
      2   0.121737D+01 -0.440757D+00  0.120550D+01  0.100592D+01 -0.600084D+00
      3   0.234146D+01 -0.534813D+00  0.100592D+01  0.595099D+01  0.321544D+01
               236           237           238           239           240 
      1  -0.600084D+00  0.321544D+01  0.546295D+00  0.969371D+00  0.336373D+00
      2   0.110589D+01 -0.169808D+00  0.969371D+00 -0.379285D+00  0.396199D+00
      3  -0.169808D+00  0.198887D+01  0.336373D+00  0.396199D+00  0.522883D+00
               241           242           243 
      1   0.187625D+01  0.509376D-01  0.134597D+01
      2   0.509376D-01  0.136342D+00  0.168882D+00
      3   0.134597D+01  0.168882D+00  0.121080D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.612880D+01 -0.590275D+01  0.423653D-01 -0.528918D+01  0.106796D+02
      2   0.996933D+01  0.793975D+01  0.107463D+02  0.702975D+01  0.135864D+02
      3  -0.722846D+01 -0.805715D+01 -0.165478D+01 -0.421447D+01  0.540712D+01
                 6             7             8             9            10 
      1  -0.117655D+02 -0.124705D+01 -0.444296D+01 -0.281417D+01  0.209477D+01
      2   0.106275D+01  0.132889D+01  0.263639D+01 -0.954386D+01 -0.259627D+02
      3  -0.636766D+01 -0.506864D+00 -0.475855D+01 -0.207868D+01  0.148859D+02
                11            12            13            14            15 
      1   0.260314D+01  0.161279D+01  0.156913D+01 -0.456596D+01 -0.479865D+01
      2  -0.150700D+01  0.895070D+01 -0.131201D+01 -0.103013D+02 -0.591366D+01
      3   0.509307D+01  0.435988D+01  0.161360D+02  0.265178D+01  0.711781D+01
                16            17            18            19            20 
      1   0.419219D+00  0.549861D+01  0.450557D+01 -0.308617D+01 -0.657264D+00
      2   0.127560D+02 -0.664332D+01  0.928277D+01  0.335002D+02  0.250771D+01
      3  -0.883630D+00  0.759165D+01  0.476853D+01 -0.190743D+02 -0.562016D+01
                21            22            23            24            25 
      1  -0.908582D+00  0.173610D+01 -0.132334D+01 -0.444103D+01  0.144417D-01
      2   0.114007D+01  0.168667D+01  0.644460D+01  0.762219D+01 -0.179622D+02
      3   0.147482D+00  0.294309D+01 -0.602696D+01 -0.104299D+01 -0.175182D+01
                26            27            28            29            30 
      1   0.366888D+00  0.443841D+01  0.792641D+01 -0.119485D+01 -0.862700D+00
      2   0.544526D+01 -0.223475D+00 -0.351849D+02 -0.567956D+01 -0.296480D+01
      3  -0.320197D+01 -0.359681D+01  0.153499D+02  0.670628D+01  0.687877D+00
                31            32            33            34            35 
      1  -0.621574D+01  0.366408D-01 -0.230760D+01 -0.405287D+01  0.327530D+01
      2  -0.173762D+02 -0.452546D+01 -0.974874D+00 -0.243251D+02 -0.328158D+01
      3   0.363922D+02  0.910865D+01 -0.151229D+01  0.409645D+01  0.112356D+01
                36            37            38            39            40 
      1  -0.380459D+01 -0.810057D+01  0.292189D+01  0.201238D+01  0.845840D+01
      2   0.563465D+00  0.250058D+02  0.662045D+01  0.471332D+01  0.168432D+02
      3   0.800063D+00 -0.228364D+02 -0.116139D+02 -0.847252D+00 -0.102058D+01
                41            42            43            44            45 
      1   0.748860D+00 -0.517993D+00  0.113226D+02  0.198385D+01  0.714176D+00
      2   0.618225D+01 -0.580075D+01 -0.118816D+02 -0.725888D+01  0.971678D+01
      3  -0.214242D+01 -0.417209D+01 -0.334973D+01 -0.546340D+01  0.420150D+01
                46            47            48            49            50 
      1   0.682545D+01 -0.113361D+02 -0.297229D+01 -0.387084D+01  0.855980D+01
      2  -0.679013D+01 -0.686084D+01 -0.927879D+01 -0.520097D+01 -0.166292D+01
      3   0.165931D+02  0.174373D+02  0.663733D+00  0.252755D+02  0.520722D+01
                51            52            53            54            55 
      1  -0.123509D+02 -0.102039D+01  0.379070D+00 -0.118630D+02 -0.411066D+01
      2   0.285750D+00 -0.178193D+02  0.413206D+01 -0.104426D+02  0.901578D+01
      3   0.490533D+01  0.647336D+00  0.101904D+01 -0.343763D+01 -0.129694D+02
                56            57            58            59            60 
      1   0.338296D+01 -0.326624D-01 -0.401675D+01 -0.320728D+01 -0.214923D+00
      2   0.196761D+01  0.167802D+02  0.755536D+01 -0.107971D+01  0.649533D+01
      3  -0.194470D+02  0.183879D+01 -0.152917D+02 -0.169026D+02  0.325539D+01
                61            62            63            64            65 
      1   0.380821D+00  0.254994D+01  0.344855D+01  0.730724D+01 -0.141681D+01
      2   0.991177D+00  0.137554D+01 -0.104307D+02  0.111647D+02 -0.245054D+01
      3   0.494818D+01  0.788173D+01 -0.305482D+01 -0.958681D+01 -0.220692D+02
                66            67            68            69            70 
      1  -0.568770D+01 -0.211103D+00  0.606333D+01  0.235636D+01 -0.901273D+01
      2  -0.390375D+01 -0.207504D+01  0.585678D+01  0.292058D+01 -0.126409D+02
      3  -0.567038D+01 -0.103769D+02 -0.507369D+01 -0.565936D+01 -0.236350D+01
                71            72            73            74            75 
      1   0.948594D+01 -0.143213D+02 -0.511390D+00 -0.260320D+01  0.335962D+01
      2   0.701053D+01 -0.153473D+02  0.210008D+01  0.144143D+02 -0.617022D+01
      3  -0.531566D+01 -0.740164D+00  0.678713D+01 -0.187497D+02 -0.145707D+02
                76            77            78            79            80 
      1  -0.309573D+01 -0.663665D+00 -0.260463D+01  0.576704D+01  0.143060D+01
      2   0.182861D+02  0.457567D+01  0.211464D+01 -0.196319D+02 -0.125975D+01
      3  -0.977501D+01 -0.446636D+01 -0.201493D+01 -0.167816D+02 -0.151745D+01
                81            82            83            84            85 
      1   0.166980D+01 -0.861480D+00  0.530412D+01 -0.143223D+01  0.462653D+01
      2  -0.371569D+01 -0.420331D+01 -0.921147D+01 -0.517126D+00 -0.136788D+02
      3  -0.559866D+01 -0.779619D+01  0.590046D+01  0.571686D+01  0.166698D+02
                86            87            88            89            90 
      1  -0.106260D+01  0.705819D+01 -0.127883D+01  0.164993D+02  0.123991D+01
      2  -0.532581D+01 -0.559956D+01 -0.218908D+01 -0.661748D+01 -0.302258D+01
      3   0.966399D+01 -0.226753D+01  0.740647D+01 -0.243622D+01  0.970129D+01
                91            92            93            94            95 
      1  -0.211648D+01  0.602254D+01  0.462738D+01 -0.427378D+01  0.901647D+01
      2  -0.316491D+01 -0.733716D+00  0.206607D+02 -0.246864D+01 -0.370858D+01
      3   0.679155D+01 -0.115545D+02  0.374811D+01  0.391548D+00 -0.175806D+02
                96            97            98            99           100 
      1  -0.853237D+01 -0.180769D+01  0.422595D+01 -0.556757D+01 -0.219007D+01
      2  -0.122927D+02  0.859817D+01 -0.892382D+01 -0.453010D+01  0.538336D+01
      3   0.663086D+00  0.333529D+01 -0.454253D+01  0.639197D+01  0.492925D+01
               101           102           103           104           105 
      1   0.165370D+01 -0.197513D+01  0.935410D+00 -0.164981D+01  0.331437D+00
      2  -0.194749D+01  0.875724D+01 -0.399792D+01  0.164462D+01 -0.429241D+01
      3  -0.382044D+01  0.403942D+01 -0.177931D+01  0.461951D+01 -0.291013D+01
               106           107           108           109           110 
      1  -0.357830D+01  0.334062D+01 -0.361467D+01  0.275290D+01  0.432117D+00
      2   0.844805D+01 -0.998180D+00  0.144345D+02 -0.929368D+01 -0.432217D+01
      3   0.673020D+01 -0.629031D+01  0.448387D+01 -0.521924D+00 -0.514547D+01
               111           112           113           114           115 
      1  -0.279059D+01  0.221486D+01  0.850219D+00 -0.230887D+01 -0.315449D+01
      2   0.967357D+01 -0.571332D+01 -0.411679D+01  0.430080D+01  0.106705D+02
      3   0.141505D+01 -0.166161D+01 -0.486698D+01  0.192130D+01  0.270009D+01
               116           117           118           119           120 
      1   0.427662D+00  0.342665D+01 -0.317667D+00 -0.575882D-01  0.133818D+00
      2   0.390065D+01 -0.113804D+02  0.244865D+01  0.501210D+00  0.828229D+00
      3   0.608717D+01 -0.576990D+00  0.829195D+00 -0.975449D+00  0.380431D+00
               121           122           123           124           125 
      1  -0.208310D+01 -0.261304D+01  0.553259D+00 -0.119621D+01  0.457592D+01
      2   0.159277D+01  0.561941D+00 -0.272012D+01 -0.372400D+01 -0.162680D+01
      3   0.193395D+01  0.830140D+00 -0.118681D+01  0.279013D+00 -0.164440D+01
               126           127           128           129           130 
      1  -0.276305D+01  0.236276D+01 -0.214732D+01  0.248209D+01 -0.177427D+01
      2   0.546238D+01 -0.570806D+00  0.866990D+00  0.552513D+00  0.145026D+01
      3   0.207810D+01 -0.312525D+01  0.211835D+01 -0.269891D+01  0.405602D+01
               131           132           133           134           135 
      1   0.738833D+01 -0.754719D+01  0.998868D+00 -0.644930D+01  0.880689D+01
      2  -0.203646D+01  0.224082D+01 -0.838596D+00  0.337068D+01 -0.295167D+01
      3  -0.111246D+02  0.402364D+01 -0.479758D+01  0.726358D+01 -0.523045D+01
               136           137           138           139           140 
      1  -0.925674D+00 -0.676032D+00  0.516922D-01 -0.471813D+00 -0.570375D+00
      2   0.204514D+01  0.255186D+00  0.545101D+00  0.535165D+00  0.472148D+01
      3  -0.121285D+01 -0.336750D+00  0.814828D+00  0.132961D+01 -0.791091D+01
               141           142           143           144           145 
      1  -0.526599D+01 -0.124035D+00 -0.318099D+01 -0.101122D+02 -0.155094D+01
      2   0.471048D+01 -0.285124D+01  0.750591D+01  0.101990D+02 -0.437548D+01
      3  -0.445745D+01  0.227451D+01 -0.728783D+01 -0.804383D+01 -0.156757D+01
               146           147           148           149           150 
      1   0.302492D+01 -0.294463D+00  0.275426D+01 -0.151173D+02  0.234307D+01
      2   0.223845D+01 -0.149786D+01  0.418086D+01 -0.777971D+01  0.586165D+01
      3   0.102766D+01 -0.317168D+00  0.410380D+01 -0.890881D+01  0.406906D+01
               151           152           153           154           155 
      1  -0.308438D+00  0.490367D+01 -0.291804D+01  0.195723D+01 -0.336929D+01
      2  -0.257237D+01  0.343625D+01 -0.283906D+01  0.445916D+01 -0.132911D+01
      3  -0.744440D+00  0.257985D+01 -0.245992D+01  0.132919D+01 -0.385533D+01
               156           157           158           159           160 
      1   0.134126D+00 -0.150726D+01  0.116992D+01  0.953636D+00 -0.939805D+00
      2   0.356159D+01 -0.204497D+01 -0.137355D+01 -0.181413D+01 -0.350731D+01
      3  -0.676844D+00 -0.727410D+00  0.162475D+01  0.247286D+01 -0.555562D-01
               161           162           163           164           165 
      1   0.335170D+01  0.326567D+00  0.316414D+01  0.497545D+01  0.296674D+00
      2  -0.294487D+00 -0.212727D+01 -0.152319D+02 -0.689344D+01 -0.693152D+01
      3   0.235297D+01  0.997697D+00  0.687450D+01  0.280970D+01  0.303301D+01
               166           167           168           169           170 
      1   0.290926D+01  0.410586D+01  0.675124D+00  0.857189D+00  0.317140D+01
      2  -0.757226D+01 -0.755658D+01 -0.535453D+01 -0.573609D+01 -0.360479D+01
      3   0.562200D+01  0.370566D+01  0.391679D+01  0.154796D+01  0.124040D+01
               171           172           173           174           175 
      1   0.136607D+01  0.168319D+01 -0.254182D+00  0.296768D+01 -0.851158D+00
      2  -0.546545D+01  0.155712D+01 -0.611078D+00  0.361768D+01 -0.266801D+00
      3   0.278027D+01  0.714245D+00  0.358024D+00 -0.822381D+00  0.129691D+01
               176           177           178           179           180 
      1   0.190773D+01 -0.245886D+01  0.428663D+01 -0.356523D+00  0.171841D+02
      2   0.211025D+01 -0.149384D+01  0.197340D+01 -0.488409D+01  0.183008D+02
      3   0.114874D+01 -0.167441D+01 -0.157099D+01 -0.495699D+01  0.235683D+01
               181           182           183           184           185 
      1  -0.203291D+01 -0.912674D+00 -0.339996D+01 -0.117339D+01 -0.234996D+01
      2  -0.164489D+01 -0.811842D+00 -0.275633D+00 -0.343282D+00 -0.152128D+01
      3   0.150805D+02  0.151351D+02  0.336300D+01  0.106483D+02  0.178258D+02
               186           187           188           189           190 
      1  -0.422693D+01 -0.767400D+00 -0.121918D+01 -0.640298D+00 -0.531902D+01
      2  -0.974307D+00 -0.130241D+01 -0.262975D+01 -0.233051D+00 -0.624233D+01
      3   0.305955D+01  0.293582D+01  0.464784D+01  0.378724D+01 -0.378899D+01
               191           192           193           194           195 
      1   0.181648D+01  0.560435D+01  0.261540D+01 -0.230098D+01 -0.306066D+01
      2   0.309816D+01  0.778034D+01  0.160537D+01 -0.292917D+01 -0.287248D+01
      3  -0.270184D+01  0.215530D+01  0.212694D+01  0.291966D+01  0.730201D+00
               196           197           198           199           200 
      1   0.443418D+01 -0.141047D+01 -0.328460D+01 -0.376064D-01  0.402908D+00
      2   0.529683D+01 -0.359457D+01 -0.452260D+01 -0.660921D+00 -0.474999D+00
      3   0.141205D+01  0.383951D+01 -0.290870D+00  0.995249D+00  0.405766D+00
               201           202           203           204           205 
      1   0.261178D+00  0.471068D+01  0.870947D+00 -0.299546D+01  0.263237D+01
      2  -0.107567D+00  0.152881D+01  0.141222D+01 -0.732116D+00 -0.241077D+01
      3  -0.810877D+00  0.279252D+01  0.107768D+00 -0.250205D+00 -0.224243D+01
               206           207           208           209           210 
      1   0.121682D+01  0.351377D+01 -0.926299D+00  0.518788D+00 -0.309321D-01
      2   0.212463D+00  0.254502D+01 -0.845158D+00  0.202691D-01  0.802934D+00
      3  -0.755916D+00  0.493455D+00 -0.178784D+01 -0.806723D+00  0.456917D+00
               211           212           213           214           215 
      1   0.159655D+01 -0.207966D+01 -0.246570D+00  0.665363D+00  0.374696D+01
      2   0.231455D+00 -0.416908D+01  0.541965D+01 -0.384030D+01  0.485215D+01
      3   0.362043D+01 -0.367704D+01  0.440689D+01  0.782528D+00  0.444960D+01
               216           217           218           219           220 
      1   0.716413D+00  0.424100D+00 -0.258209D+01  0.161753D+00  0.117971D+01
      2  -0.108305D+02  0.688419D+00  0.230007D+01 -0.261727D+01  0.122175D+00
      3  -0.543078D+01  0.210490D+01  0.478276D+01 -0.120018D+01  0.835592D+00
               221           222           223           224           225 
      1  -0.131441D+02  0.800399D-01  0.205034D+01 -0.968844D+00 -0.399546D+00
      2   0.452451D+01 -0.398341D+01  0.995022D-01 -0.183888D+01  0.217320D+01
      3   0.281524D+02 -0.358557D+01 -0.194332D+01  0.209652D+01  0.215541D+01
               226           227           228           229           230 
      1   0.279937D+00 -0.186204D+01 -0.440962D+01  0.765975D+00  0.191480D+01
      2   0.625797D+01 -0.192542D+01 -0.133218D+02 -0.158322D+01  0.583701D+01
      3  -0.152247D+01  0.196419D+01  0.350115D-01  0.650361D+00 -0.865933D+00
               231           232           233           234           235 
      1   0.394037D+01 -0.179528D+01  0.347742D+01  0.743871D+01  0.143760D+01
      2   0.977980D+01 -0.661569D+01  0.433095D+01  0.240187D+02 -0.126019D+01
      3  -0.431143D+01  0.192097D-01 -0.306548D+01 -0.292557D+01 -0.450828D+01
               236           237           238           239           240 
      1   0.191320D+01  0.104896D+01  0.597447D+00 -0.315201D+00 -0.246309D+00
      2  -0.320663D+00  0.607474D+01  0.985471D+00  0.628617D+00  0.200444D+01
      3  -0.609748D+01 -0.123850D+01 -0.216447D+01  0.839744D+00 -0.961137D+00
               241           242           243 
      1   0.716529D+00  0.123306D+01  0.959833D+00
      2  -0.126652D+00  0.981571D+00  0.274168D+01
      3  -0.212366D+01 -0.936726D+00 -0.153106D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.436169D+01  0.139792D+02  0.204022D+02  0.124725D+02  0.156010D+02
      2   0.806298D+01 -0.105437D+02 -0.186764D+02 -0.100702D+02  0.204009D+01
      3  -0.124247D+02 -0.343549D+01 -0.172587D+01 -0.240230D+01 -0.176411D+02
      4   0.139594D+02  0.316590D+01 -0.756864D+01  0.609806D+01 -0.163832D+02
      5   0.290805D+02 -0.136098D+02 -0.278707D+02 -0.151144D+02  0.608340D+01
      6  -0.157953D+02 -0.869886D+01  0.257838D+01 -0.703952D+01  0.100937D+02
                 6             7             8             9            10 
      1   0.791342D+00  0.133456D+02  0.218022D-01 -0.176128D+02 -0.271884D+02
      2   0.288077D+01 -0.131662D+02  0.238964D+01 -0.176749D+01  0.226634D+02
      3  -0.367211D+01 -0.179421D+00 -0.241144D+01  0.193803D+02  0.452501D+01
      4   0.120192D+02 -0.776951D+01  0.831443D+01  0.791432D+01 -0.407877D+02
      5   0.472962D+01 -0.270002D+02  0.698842D+01 -0.302910D+01 -0.155932D+02
      6  -0.129139D+02  0.381544D+01 -0.120674D+02 -0.110998D+01  0.141646D+02
                11            12            13            14            15 
      1  -0.220625D+02 -0.100460D+02 -0.318103D+02 -0.276320D+02 -0.124007D+02
      2   0.177468D+02  0.735030D+01  0.229590D+02  0.285745D+01  0.646519D+01
      3   0.431561D+01  0.269570D+01  0.885124D+01  0.247746D+02  0.593550D+01
      4  -0.630474D+00  0.496430D+01 -0.787560D+01  0.531337D+01 -0.144682D+02
      5   0.219243D+01  0.156561D+02  0.355660D+01 -0.100919D+02 -0.648687D+01
      6  -0.250812D+01 -0.260291D+01  0.118433D+01  0.105809D+02  0.705711D+01
                16            17            18            19            20 
      1  -0.581150D+00 -0.104004D+02  0.125716D+02  0.819695D+02  0.143161D+02
      2  -0.640472D+01  0.986249D+01  0.106063D+01 -0.673075D+02 -0.142375D+02
      3   0.698587D+01  0.537924D+00 -0.136323D+02 -0.146620D+02 -0.786101D-01
      4   0.952862D+01 -0.199609D+02 -0.150130D+02  0.219996D+02 -0.163701D+02
      5   0.159368D+02 -0.111075D+02  0.176468D+02 -0.189936D+02 -0.946506D+01
      6  -0.892344D+01  0.594880D+01 -0.712271D+01 -0.299204D+02 -0.702266D+01
                21            22            23            24            25 
      1   0.203410D+01  0.133470D+02  0.125511D+02 -0.631685D+00  0.272486D+01
      2  -0.406567D+01 -0.161466D+02 -0.856234D+01 -0.673073D+01  0.276029D+01
      3   0.203157D+01  0.279952D+01 -0.398880D+01  0.736241D+01 -0.548515D+01
      4  -0.912959D+01 -0.275409D+02 -0.553299D+01  0.218934D+01 -0.147885D+02
      5  -0.240743D+01 -0.141586D+02 -0.502909D+01  0.923187D+01 -0.695013D+01
      6  -0.192649D+01 -0.994414D+01 -0.688616D+01 -0.287271D+01  0.679384D+00
                26            27            28            29            30 
      1  -0.163255D+01  0.608765D+01 -0.145331D+03 -0.141586D+02  0.352040D+01
      2  -0.838262D+01  0.788486D+01  0.942000D+02  0.813950D+01 -0.349376D+01
      3   0.100152D+02 -0.139725D+02  0.511311D+02  0.601913D+01 -0.266389D-01
      4   0.722346D+01  0.100596D+02 -0.208978D+02 -0.107812D+02  0.250011D+00
      5   0.638881D+01 -0.440454D+01  0.354086D+02  0.224386D+01 -0.131382D+02
      6   0.326977D-01  0.805938D+01  0.294513D+02  0.673808D+01  0.160927D+01
                31            32            33            34            35 
      1  -0.437924D+02 -0.281293D+02 -0.654593D+01  0.263006D+02 -0.309194D+01
      2   0.310979D+02  0.213847D+02  0.462118D+01 -0.139976D+02  0.554139D+01
      3   0.126946D+02  0.674460D+01  0.192475D+01 -0.123029D+02 -0.244945D+01
      4  -0.178151D+02 -0.126473D+02 -0.330276D+01  0.185985D+01 -0.356195D+01
      5   0.670723D+01  0.197914D+01 -0.141224D+01 -0.927626D+01  0.155897D+01
      6   0.802182D+01  0.106584D+02  0.536933D+01 -0.477315D-01  0.185533D+01
                36            37            38            39            40 
      1  -0.134693D+02  0.190997D+03  0.339864D+02 -0.165934D+02  0.390932D+02
      2   0.128951D+01 -0.111434D+03 -0.197157D+02  0.103606D+02 -0.198713D+02
      3   0.121798D+02 -0.795631D+02 -0.142707D+02  0.623281D+01 -0.192219D+02
      4   0.826110D+00  0.417953D+02  0.196369D+02  0.137182D+01  0.316927D+02
      5   0.287340D+00 -0.517614D+02 -0.281707D+01  0.122698D+02 -0.235433D+01
      6   0.421870D+01 -0.273256D+02 -0.570053D+01 -0.990880D+00 -0.105502D+02
                41            42            43            44            45 
      1   0.936288D+01 -0.116496D+02 -0.818139D+01 -0.112498D+02  0.109628D+02
      2   0.138761D+01 -0.949062D+00  0.114469D+02  0.456188D+01 -0.477988D+01
      3  -0.107505D+02  0.125987D+02 -0.326555D+01  0.668795D+01 -0.618294D+01
      4   0.664942D+01  0.133478D+01  0.956652D+01  0.662969D+01 -0.109456D+02
      5   0.188611D+01 -0.134181D+02  0.184077D+02 -0.969885D+01  0.727270D+01
      6   0.245123D+00  0.242034D+00  0.998164D+00  0.766688D+00  0.113390D+02
                46            47            48            49            50 
      1  -0.175878D+03 -0.386363D+02  0.353269D+02 -0.673018D+02 -0.213635D+02
      2   0.922003D+02  0.181993D+02 -0.174651D+02  0.347272D+02  0.123003D+02
      3   0.836782D+02  0.204370D+02 -0.178618D+02  0.325746D+02  0.906325D+01
      4  -0.676215D+02 -0.322412D+02  0.107112D+02 -0.184799D+02 -0.883471D+01
      5   0.684755D+02  0.148746D+02 -0.240860D+02  0.330680D+02 -0.128444D+01
      6   0.235785D+02  0.198359D+01 -0.590674D+01  0.145423D+00  0.694730D+01
                51            52            53            54            55 
      1   0.131397D+02  0.450989D+02  0.142985D+02 -0.141474D+02  0.197928D+03
      2  -0.122865D+02 -0.170928D+02 -0.114600D+01  0.116073D+02 -0.101500D+03
      3  -0.853255D+00 -0.280061D+02 -0.131525D+02  0.254007D+01 -0.964274D+02
      4  -0.279467D+01  0.266857D+02 -0.580765D+01  0.986007D+01  0.603685D+02
      5   0.102753D+02 -0.184295D+02  0.105905D+02 -0.191030D+02 -0.650521D+02
      6   0.510313D+00  0.467457D+01 -0.423851D+01  0.659646D+01 -0.136107D+02
                56            57            58            59            60 
      1   0.381491D+02 -0.337601D+02  0.800027D+02  0.330017D+02 -0.491236D+01
      2  -0.148807D+02  0.219644D+02 -0.349874D+02 -0.571240D+01  0.141885D+01
      3  -0.232684D+02  0.117957D+02 -0.450153D+02 -0.272893D+02  0.349351D+01
      4   0.375374D+02 -0.101252D+02  0.640896D+02  0.425497D+02 -0.145957D+02
      5  -0.125122D+02  0.348067D+02 -0.227916D+02 -0.165882D+02  0.838260D+01
      6  -0.576667D+01  0.621986D+01 -0.124459D+02 -0.933265D+01  0.930440D+01
                61            62            63            64            65 
      1  -0.901710D+02 -0.124917D+02  0.257778D+02 -0.177091D+01  0.361544D+02
      2   0.531421D+02  0.536698D+01 -0.233450D+02 -0.157123D+02 -0.297693D+02
      3   0.370289D+02  0.712469D+01 -0.243285D+01  0.174832D+02 -0.638509D+01
      4  -0.262658D+02 -0.114856D+02  0.119924D+02  0.376220D+02 -0.146014D+02
      5   0.617031D+02  0.141597D+02 -0.345235D+02  0.150809D+02 -0.650979D+01
      6   0.130391D+02  0.992525D+01 -0.647439D+01 -0.165972D+02  0.337292D+01
                66            67            68            69            70 
      1   0.171442D+02  0.304718D+02  0.810952D+01  0.943091D+00  0.148845D+02
      2  -0.690120D+01 -0.248669D+02  0.200485D+01 -0.886098D+01  0.406540D+00
      3  -0.102430D+02 -0.560490D+01 -0.101144D+02  0.791789D+01 -0.152910D+02
      4  -0.158675D+02 -0.832651D+01 -0.151699D+02  0.116560D+02 -0.219897D+02
      5  -0.116060D+02 -0.620456D+01  0.115957D+02  0.525927D+01 -0.148909D+02
      6   0.866015D+01  0.466031D+01 -0.121736D+02 -0.535515D+01  0.135256D+02
                71            72            73            74            75 
      1  -0.182117D+01 -0.846639D+01 -0.115520D+02 -0.117375D+02 -0.287988D+01
      2  -0.104321D+02  0.637759D+01  0.728317D+01  0.442195D+01  0.845131D+01
      3   0.122532D+02  0.208880D+01  0.426883D+01  0.731559D+01 -0.557144D+01
      4   0.147736D+02  0.195123D+02 -0.118984D+02  0.642231D+01  0.181759D+02
      5   0.130229D+02 -0.313455D+02  0.692192D+01  0.185012D+02 -0.222138D+02
      6  -0.572468D+01  0.213222D+02  0.390088D+01  0.984358D+01  0.110130D+01
                76            77            78            79            80 
      1  -0.128148D+02  0.231271D+02  0.312325D+02  0.475572D+01  0.315292D+02
      2   0.641689D+01 -0.103417D+02 -0.165678D+02  0.778866D+01 -0.192428D+02
      3   0.639789D+01 -0.127854D+02 -0.146647D+02 -0.125444D+02 -0.122864D+02
      4   0.143543D+02  0.151329D+02  0.126119D+02  0.332211D+02  0.179160D+02
      5   0.310585D+02  0.849438D+01  0.618174D+01 -0.331899D+02  0.365671D+01
      6   0.808694D+01  0.143582D+01 -0.174967D+01 -0.224696D+01 -0.380003D+00
                81            82            83            84            85 
      1  -0.257186D+02 -0.456757D+02  0.177136D+01  0.953562D+01  0.590799D+01
      2   0.177042D+02  0.412574D+02  0.110365D+02 -0.838374D+01  0.924690D+01
      3   0.801438D+01  0.441834D+01 -0.128079D+02 -0.115188D+01 -0.151549D+02
      4  -0.261374D+00  0.187590D+02  0.180110D+02  0.133919D+01  0.256876D+02
      5  -0.119446D+02  0.138838D+02  0.360377D+01  0.157743D+01  0.300239D+01
      6   0.541669D+01  0.207168D+02 -0.373338D-01  0.168435D+00  0.192761D+01
                86            87            88            89            90 
      1   0.899938D+01 -0.424324D+01  0.293170D+02  0.223039D+01  0.242768D+02
      2  -0.189915D+01  0.129417D+02 -0.239203D+02  0.105602D+02 -0.196855D+02
      3  -0.710023D+01 -0.869841D+01 -0.539666D+01 -0.127906D+02 -0.459131D+01
      4   0.216355D+01 -0.524773D+01 -0.145906D+01 -0.996855D+01 -0.154857D+02
      5   0.240430D+01 -0.117864D+02 -0.549346D+00 -0.185336D+02 -0.695947D+01
      6  -0.937598D+00 -0.171910D+02 -0.727176D+01 -0.293263D+02 -0.193967D+02
                91            92            93            94            95 
      1  -0.637227D+02  0.110858D+01 -0.357007D+02 -0.108651D+02  0.227219D+02
      2   0.388545D+02 -0.700750D+01  0.825608D+01  0.430162D+01 -0.244686D+02
      3   0.248682D+02  0.589892D+01  0.274446D+02  0.656349D+01  0.174665D+01
      4   0.112378D+01  0.181637D+02 -0.143992D+01  0.107248D+02  0.254160D+02
      5  -0.310110D+02 -0.348700D+01  0.136911D+02 -0.941409D+01  0.404663D+01
      6  -0.526293D+00  0.601067D+01 -0.553349D+00  0.388179D+01  0.784531D+01
                96            97            98            99           100 
      1   0.245238D+01 -0.188617D+02  0.471651D+01  0.187045D+02  0.397832D+02
      2   0.105101D+02  0.319391D+01  0.741350D+00 -0.429796D+01 -0.258188D+02
      3  -0.129625D+02  0.156678D+02 -0.545786D+01 -0.144066D+02 -0.139643D+02
      4   0.156797D+01 -0.570971D+01  0.773252D+01 -0.177348D+02  0.233767D+01
      5  -0.171121D+02  0.162369D+02 -0.152554D+02  0.999585D+01  0.267201D+02
      6   0.268993D+01 -0.334362D+01  0.737963D+01 -0.114176D+02 -0.772675D-01
               101           102           103           104           105 
      1  -0.114795D+01  0.177486D+02 -0.113841D+02  0.321525D+01 -0.867720D+01
      2   0.152008D+01 -0.136500D+02  0.779717D+01 -0.273778D+01  0.639933D+01
      3  -0.372129D+00 -0.409865D+01  0.358689D+01 -0.477471D+00  0.227787D+01
      4   0.622249D+01 -0.187922D+01  0.835560D+01 -0.619060D+01  0.495346D+01
      5  -0.395314D+01  0.229053D+02 -0.116503D+02  0.647117D+01 -0.950213D+01
      6   0.994553D+00  0.140033D+01  0.249528D+01 -0.178807D+01  0.372923D+01
               106           107           108           109           110 
      1   0.283495D+02 -0.523602D+01  0.186178D+02  0.549783D+02  0.162452D+02
      2  -0.236846D+02  0.493129D+01 -0.219850D+02 -0.254528D+02 -0.507917D+01
      3  -0.466495D+01  0.304728D+00  0.336722D+01 -0.295255D+02 -0.111660D+02
      4  -0.206390D+01  0.766464D+01  0.135505D+00  0.294331D+02  0.164091D+02
      5   0.357726D+02 -0.280852D+01  0.370967D+02 -0.179540D+02 -0.810642D+01
      6   0.147547D+01  0.379357D+01  0.197965D+01 -0.689321D+01 -0.336882D+01
               111           112           113           114           115 
      1  -0.143491D+02  0.179275D+02  0.687494D+01 -0.769569D+01 -0.322359D+02
      2   0.610938D+01 -0.456826D+01  0.259271D+01  0.272277D+01  0.151089D+02
      3   0.823972D+01 -0.133592D+02 -0.946765D+01  0.497292D+01  0.171270D+02
      4  -0.106566D+02  0.216835D+02  0.170489D+02 -0.941831D+01 -0.216814D+02
      5   0.165710D+02 -0.984344D+01 -0.764307D+01  0.614106D+01  0.268378D+02
      6   0.383786D+01 -0.516568D+01 -0.314967D+01  0.487969D+01  0.818162D+01
               116           117           118           119           120 
      1  -0.118072D+02  0.165819D+02  0.151572D+01 -0.448156D+00  0.192992D+01
      2   0.413089D+01 -0.108475D+02 -0.377109D+01  0.104118D+00  0.667150D-02
      3   0.767635D+01 -0.573437D+01  0.225537D+01  0.344039D+00 -0.193659D+01
      4  -0.165130D+02  0.114212D+02 -0.167400D+01  0.273272D+01 -0.261110D+00
      5   0.857419D+01 -0.197086D+02  0.123516D+01 -0.103233D+01  0.646362D+01
      6   0.572991D+01 -0.736270D+01 -0.149451D+01  0.106077D+00  0.236414D+00
               121           122           123           124           125 
      1   0.210906D+01 -0.723586D+01  0.712672D+01 -0.186196D+00  0.436598D+01
      2  -0.817149D-01  0.210420D+01  0.179001D+00 -0.566660D+00  0.311747D+01
      3  -0.202734D+01  0.513166D+01 -0.730572D+01  0.752855D+00 -0.748345D+01
      4   0.268013D+01 -0.260597D+01  0.254162D+01 -0.350123D+00  0.480203D+01
      5  -0.139364D+01  0.209798D+01 -0.509366D+01  0.535909D+01 -0.311513D+01
      6   0.173997D+00 -0.537677D+01  0.744662D+01 -0.533849D+00  0.586859D+01
               126           127           128           129           130 
      1  -0.195357D+02 -0.329315D+00  0.785787D+01 -0.304179D+01  0.609834D+01
      2  -0.105759D+02  0.229593D+01 -0.110047D+02  0.362363D+01 -0.620516D+01
      3   0.301115D+02 -0.196661D+01  0.314687D+01 -0.581838D+00  0.106823D+00
      4  -0.409035D+01 -0.172676D+01  0.163923D+01 -0.183366D+01  0.416110D+01
      5   0.105985D+02 -0.124594D+01  0.382900D+00 -0.261894D+00  0.781959D+00
      6  -0.601021D+01 -0.436286D+01  0.122746D+01 -0.233327D+01  0.310797D+00
               131           132           133           134           135 
      1  -0.235836D+02  0.629470D+01 -0.687699D+01  0.135942D+02 -0.117199D+02
      2   0.360989D+02 -0.114935D+02  0.467304D+01 -0.220451D+02  0.129359D+02
      3  -0.125153D+02  0.519884D+01  0.220396D+01  0.845089D+01 -0.121599D+01
      4   0.118814D+02 -0.328798D+01 -0.398804D+01 -0.778086D+01  0.464593D+01
      5  -0.545592D+01  0.543598D+01 -0.309039D+00  0.706557D+01 -0.614939D+01
      6  -0.636243D+01  0.996304D+01 -0.272799D+00  0.118854D+02 -0.788322D+01
               136           137           138           139           140 
      1   0.643627D+01  0.489638D+01  0.335363D+01  0.360289D+01 -0.207033D+02
      2  -0.592538D+01 -0.361732D+01 -0.118476D+01 -0.248185D+01  0.198744D+02
      3  -0.510883D+00 -0.127907D+01 -0.216887D+01 -0.112103D+01  0.828852D+00
      4   0.495226D+01  0.549698D+01  0.497367D+01  0.725033D+01  0.153740D+02
      5   0.287012D+01  0.384724D+01  0.627505D+01  0.352031D+01  0.105189D+02
      6   0.286910D+01 -0.239460D-01  0.892417D-01  0.307556D+01  0.231945D+02
               141           142           143           144           145 
      1  -0.133711D+02 -0.290201D+01 -0.241372D+02 -0.291339D+02 -0.239614D+01
      2   0.883216D+01  0.239644D+01  0.135107D+02  0.682397D+01 -0.555000D+00
      3   0.453894D+01  0.505561D+00  0.106264D+02  0.223100D+02  0.295114D+01
      4   0.104306D+02  0.103583D+02  0.171935D+02  0.163581D+02  0.107601D+01
      5   0.103444D+02  0.108494D+02  0.185750D+02  0.228545D+02 -0.213353D+01
      6   0.218205D+02  0.829680D+01  0.331025D+02  0.368064D+02 -0.177043D+01
               146           147           148           149           150 
      1   0.257239D+01 -0.559283D+01  0.366512D+01 -0.133889D+02  0.100199D+02
      2  -0.111163D+00  0.142515D+01 -0.163458D+01  0.477775D+01  0.349705D+01
      3  -0.246123D+01  0.416768D+01 -0.203054D+01  0.861117D+01 -0.135170D+02
      4  -0.490257D-01  0.732332D+00  0.787989D-01  0.187373D+02 -0.857737D+01
      5  -0.830275D+00  0.380089D+01 -0.336057D+01 -0.577345D+01  0.847616D+01
      6   0.434799D+01 -0.209512D+01  0.278694D+01 -0.222863D+02  0.131077D+02
               151           152           153           154           155 
      1  -0.279734D+01  0.668372D+01 -0.702533D+01  0.242257D+02 -0.441381D+01
      2   0.137595D+01  0.120148D+01 -0.263877D+01 -0.234684D+02  0.353676D+01
      3   0.142139D+01 -0.788520D+01  0.966410D+01 -0.757331D+00  0.877047D+00
      4   0.403277D+00 -0.483956D+01  0.425633D+01 -0.128577D+02  0.948541D+01
      5   0.453745D+01  0.284996D+01 -0.353801D+01 -0.412800D+02  0.982752D+01
      6  -0.177985D+01  0.113902D+02 -0.762092D+01  0.891558D+01 -0.664422D+01
               156           157           158           159           160 
      1  -0.902799D+01 -0.468080D+01  0.740180D-01 -0.664786D+00 -0.692248D+01
      2   0.192084D+02  0.394770D+01 -0.177491D+01 -0.347611D+01  0.149077D+02
      3  -0.101804D+02  0.733100D+00  0.170090D+01  0.414090D+01 -0.798524D+01
      4   0.799546D+01  0.888644D+01 -0.575601D+01 -0.811938D+01  0.557033D+01
      5   0.361119D+02  0.106925D+02 -0.891558D+01 -0.101698D+02  0.266066D+02
      6  -0.691274D+01 -0.593631D+01  0.467132D+01  0.881760D+01 -0.501968D+01
               161           162           163           164           165 
      1  -0.456630D+00  0.108175D+01 -0.108256D+02 -0.104891D+02 -0.149984D+02
      2  -0.214837D+01 -0.159269D+02  0.225590D+01  0.522449D+01  0.755748D+00
      3   0.260500D+01  0.148451D+02  0.856971D+01  0.526460D+01  0.142427D+02
      4  -0.453704D+01 -0.654928D+01  0.192575D+00 -0.142200D+01 -0.301334D+00
      5  -0.674516D+01 -0.279410D+02  0.739163D+01  0.443359D+01  0.349132D+01
      6   0.636853D+01  0.704056D+01  0.842136D+01  0.988373D+01  0.717850D+01
               166           167           168           169           170 
      1  -0.977488D+01 -0.141970D+02 -0.105263D+02 -0.794218D+01 -0.581306D+01
      2   0.534275D+01  0.809426D+01  0.673846D+00  0.746108D+00 -0.240425D+00
      3   0.443213D+01  0.610276D+01  0.985244D+01  0.719607D+01  0.605348D+01
      4  -0.112689D+00 -0.178953D+01 -0.337379D+01 -0.184758D-01 -0.176775D+01
      5   0.638507D+01  0.886612D+00 -0.201703D+01  0.646561D+01  0.251394D+00
      6   0.692755D+01  0.106138D+02  0.110351D+02  0.410864D+01  0.755734D+01
               171           172           173           174           175 
      1  -0.936773D+01  0.496736D+01 -0.513816D+01  0.372226D+01 -0.771734D+00
      2  -0.210029D+01 -0.170633D+01  0.270349D+01 -0.285444D+01 -0.387112D-01
      3   0.114680D+02 -0.326103D+01  0.243467D+01 -0.867823D+00  0.810445D+00
      4  -0.145375D+01 -0.899392D+01  0.613678D+01 -0.403208D+01  0.414222D+01
      5   0.541588D+00  0.655526D+01 -0.242285D+01  0.109879D+02 -0.883831D+00
      6   0.663323D+01 -0.301865D+01  0.162634D+01 -0.523288D+01  0.189167D+01
               176           177           178           179           180 
      1  -0.359366D+01  0.326856D+01  0.463144D+01  0.483694D+01 -0.517733D+01
      2   0.314995D+01 -0.411396D+01 -0.378641D+01 -0.636509D+01 -0.742716D+01
      3   0.443713D+00  0.845391D+00 -0.845025D+00  0.152815D+01  0.126045D+02
      4  -0.256184D+01  0.527738D+01 -0.906395D+01  0.124417D+02 -0.150212D+02
      5   0.483045D+01 -0.339714D+01  0.161577D+02 -0.117906D+02  0.391879D+02
      6  -0.463863D+01  0.869204D+01 -0.946414D+01  0.132947D+02 -0.305819D+02
               181           182           183           184           185 
      1  -0.142172D+02 -0.253591D+02 -0.561457D+01 -0.153136D+02 -0.275633D+02
      2   0.151809D+02  0.298261D+02  0.434855D+01  0.153162D+02  0.372128D+02
      3  -0.963698D+00 -0.446700D+01  0.126603D+01 -0.263499D-02 -0.964955D+01
      4   0.451653D+01 -0.134553D+01  0.244924D+01  0.559735D+01 -0.770929D+01
      5  -0.303734D+01 -0.816985D+00 -0.126522D+01 -0.118841D+01 -0.309038D+01
      6   0.329873D+01  0.159169D+01  0.520398D+01  0.978179D+00  0.350658D+01
               186           187           188           189           190 
      1  -0.462715D+01 -0.590638D+01 -0.608353D+01 -0.568084D+01  0.447542D+02
      2   0.589392D+01  0.311533D+01  0.874471D+01  0.487909D+01 -0.109373D+02
      3  -0.126677D+01  0.279105D+01 -0.266118D+01  0.801754D+00 -0.338169D+02
      4  -0.132845D+01  0.362152D+01 -0.444233D+01 -0.236128D+01 -0.503122D+02
      5  -0.309885D+01  0.147958D+01 -0.351235D+01  0.105898D+01 -0.152276D+02
      6   0.630899D+01  0.171449D+01  0.759151D+01  0.164797D+01  0.972158D+01
               191           192           193           194           195 
      1  -0.166035D+02 -0.121135D+02 -0.122848D+02  0.366621D+01  0.116535D+01
      2  -0.184557D+01  0.414024D+01 -0.110927D+01  0.856817D+01  0.328378D+01
      3   0.184491D+02  0.797331D+01  0.133941D+02 -0.122344D+02 -0.444913D+01
      4   0.326896D+02  0.132622D+02  0.234616D+02 -0.201719D+02 -0.810689D+01
      5   0.640967D+01  0.136002D+02  0.529451D+01 -0.557916D+01 -0.422667D+01
      6  -0.535517D+01 -0.921146D+01 -0.372469D+01  0.551766D+01  0.529119D+01
               196           197           198           199           200 
      1  -0.159997D+02  0.326126D+01  0.709528D+01 -0.901658D+00 -0.202406D+01
      2   0.365174D+01  0.540133D+01 -0.302430D+01  0.174202D+01  0.179451D+01
      3   0.123480D+02 -0.866259D+01 -0.407098D+01 -0.840363D+00  0.229551D+00
      4   0.225221D+02 -0.179015D+02 -0.139041D+02 -0.171572D+01  0.207125D+01
      5   0.156045D+02 -0.912844D+01 -0.995202D+01  0.289815D+01 -0.148904D+01
      6  -0.109441D+02  0.791436D+01  0.654513D+01  0.208201D-01  0.353057D+00
               201           202           203           204           205 
      1   0.168344D+01 -0.210396D+01 -0.234931D+01  0.574118D+01  0.316091D+01
      2  -0.131297D+01 -0.197709D+01  0.303290D+01 -0.334233D+01 -0.304917D+01
      3  -0.370473D+00  0.408105D+01 -0.683586D+00 -0.239885D+01 -0.111738D+00
      4  -0.216419D+01  0.163120D+01 -0.207959D+01  0.314663D+01 -0.216265D+01
      5   0.415199D+01 -0.102056D+01  0.139850D+01 -0.224501D+01  0.343238D+01
      6  -0.334212D+00  0.264984D-01 -0.435423D+01  0.349940D+01 -0.728077D+00
               206           207           208           209           210 
      1   0.623627D+01 -0.651440D+01 -0.465731D+00  0.138665D+01 -0.245648D+01
      2  -0.514379D+01  0.164825D+01 -0.121105D+01 -0.672221D+00  0.475299D+00
      3  -0.109248D+01  0.486616D+01  0.167678D+01 -0.714426D+00  0.198118D+01
      4   0.357437D+01 -0.444059D+01  0.162870D+01  0.270167D+01 -0.255590D+01
      5  -0.362729D+01  0.541996D+01 -0.234834D+01 -0.282572D+01  0.592728D+01
      6   0.414583D+01 -0.644482D+01 -0.253031D+01 -0.817340D-02  0.471979D+00
               211           212           213           214           215 
      1   0.309096D+01 -0.945580D+01  0.108991D+02 -0.321997D+01  0.103214D+02
      2  -0.387112D+01  0.400739D+01 -0.108386D+01  0.176671D+01 -0.240083D+01
      3   0.780153D+00  0.544840D+01 -0.981527D+01  0.145326D+01 -0.792058D+01
      4   0.292802D+00  0.562538D+01 -0.591231D+01 -0.284913D+01 -0.551247D+01
      5  -0.349705D+01 -0.715373D+01  0.102238D+02  0.335722D+01  0.842770D+01
      6  -0.222616D+00 -0.799172D+01  0.848476D+01  0.166105D+01  0.920668D+01
               216           217           218           219           220 
      1  -0.222364D+02  0.402181D+01 -0.912455D+01  0.462721D+01 -0.111433D+02
      2  -0.312658D+01 -0.746635D-02  0.791308D+01 -0.101408D+01  0.450529D+01
      3   0.253630D+02 -0.401434D+01  0.121148D+01 -0.361313D+01  0.663801D+01
      4   0.726683D+01 -0.300963D+01 -0.361016D+01  0.142173D+01  0.891887D+01
      5  -0.194147D+02  0.515165D+00 -0.111391D+00 -0.397479D+01 -0.742733D+01
      6  -0.118717D+02 -0.126495D+01 -0.323745D+01  0.166514D+01  0.217791D+01
               221           222           223           224           225 
      1  -0.214335D+02  0.172681D+01  0.294653D+01  0.848303D+00 -0.603252D+01
      2   0.344195D+02 -0.113808D+01 -0.188142D+01  0.262084D+01  0.235814D+01
      3  -0.129860D+02 -0.588721D+00 -0.106512D+01 -0.346914D+01  0.367438D+01
      4  -0.486153D+02  0.686119D+01  0.251200D+01 -0.348507D+01 -0.282693D+01
      5   0.431388D+01 -0.103585D+02  0.679393D+00 -0.301458D+01  0.145189D+01
      6  -0.169472D+02  0.765812D+01  0.152618D+00  0.497076D+01 -0.704085D+00
               226           227           228           229           230 
      1  -0.447203D+01  0.404657D+01  0.174054D+02  0.530800D+01 -0.925340D+01
      2  -0.181813D+01 -0.586036D-01  0.118149D+01 -0.259131D+01  0.362549D+01
      3   0.629015D+01 -0.398797D+01 -0.185869D+02 -0.271669D+01  0.562791D+01
      4   0.420417D+01 -0.565255D+01 -0.952889D+00 -0.864415D+00  0.157237D+01
      5   0.945529D+00  0.734424D+00 -0.102231D+02  0.264551D+01  0.487622D+01
      6   0.141572D+01 -0.344758D+01 -0.663190D+00 -0.119700D+01  0.294552D+01
               231           232           233           234           235 
      1  -0.748639D+01  0.178553D+02 -0.545015D+01 -0.254199D+02  0.883039D+02
      2  -0.425571D+01 -0.628403D+01 -0.157727D+01 -0.105233D+02 -0.491283D+02
      3   0.117421D+02 -0.115712D+02  0.702742D+01  0.359431D+02 -0.391755D+02
      4   0.651765D+01 -0.444122D+01  0.758464D+01  0.606606D+01 -0.139489D+02
      5   0.119886D+02  0.295423D+01  0.424474D+01  0.281345D+02  0.439909D+02
      6   0.701024D+01 -0.123596D+01  0.540613D+01  0.223425D+01 -0.128742D+01
               236           237           238           239           240 
      1  -0.376127D+01  0.228544D+02  0.526160D+01  0.643060D+01  0.176171D+01
      2   0.693627D+00 -0.162120D+02 -0.379149D+01 -0.174312D+01 -0.228310D+01
      3   0.306765D+01 -0.664246D+01 -0.147012D+01 -0.468748D+01  0.521393D+00
      4   0.124014D+02 -0.357577D+01  0.108646D+02 -0.289212D+01  0.376103D+01
      5  -0.175872D+01  0.239613D+02  0.359011D+01  0.472150D+01  0.365424D+01
      6   0.373980D+01 -0.165762D+01  0.380856D+01 -0.727397D+00  0.236709D+01
               241           242           243 
      1   0.118570D+02 -0.142164D+00  0.869928D+01
      2  -0.102032D+02 -0.427304D+00 -0.931942D+01
      3  -0.165383D+01  0.569468D+00  0.620140D+00
      4  -0.124820D+01  0.171360D+01 -0.226762D+00
      5   0.178536D+02  0.507249D+00  0.128013D+02
      6  -0.198673D+01  0.182254D+01 -0.535170D+00
 Leave Link  716 at Sun Sep 26 20:24:46 2021, MaxMem=  6442450944 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.179637D+03  0.852422D+01 -0.366491D+01
      2   0.852422D+01  0.114220D+03 -0.469657D+01
      3  -0.366491D+01 -0.469657D+01  0.115202D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.738982D+01  0.107437D+02  0.288525D+01
      2   0.233417D+02 -0.178771D+02 -0.207917D+02
      3  -0.324891D+02  0.410030D+02  0.248483D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.885049D+02  0.511157D+02 -0.176094D+02
      2  -0.624661D+02 -0.366666D+02 -0.177363D+02
      3  -0.260388D+02 -0.144491D+02  0.353458D+02
      4   0.422710D+02 -0.916536D+02 -0.575039D+02
      5  -0.963665D+01 -0.600965D+02 -0.414562D+02
      6  -0.330441D+02  0.784949D+00  0.199983D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.383677D+01 -0.339234D+01 -0.546107D+01 -0.420952D+01 -0.254644D+01
      2  -0.339234D+01 -0.237978D+01  0.158238D+00 -0.254644D+01  0.360210D+01
      3  -0.546107D+01  0.158238D+00  0.218057D+01  0.495897D+00 -0.357597D+01
                 6             7             8             9            10 
      1   0.495897D+00 -0.410288D+01  0.587813D+00  0.243085D+01 -0.273761D+02
      2  -0.357597D+01  0.587813D+00 -0.245446D+01 -0.148926D+01  0.548402D+01
      3  -0.105658D+01  0.243085D+01 -0.148926D+01  0.303831D+01  0.626090D+01
                11            12            13            14            15 
      1   0.548402D+01  0.626090D+01  0.892535D+01  0.411149D+00 -0.122380D+01
      2   0.204017D+01 -0.358029D-01  0.411149D+00 -0.128016D+01  0.273431D+01
      3  -0.358029D-01 -0.273714D+01 -0.122380D+01  0.273431D+01  0.201139D+01
                16            17            18            19            20 
      1   0.197539D+02 -0.116063D+01 -0.475268D+01  0.539564D+02  0.192775D+01
      2  -0.116063D+01  0.373750D+01  0.288246D+01  0.192775D+01  0.463449D+01
      3  -0.475268D+01  0.288246D+01 -0.388440D+01 -0.313632D+01  0.188178D+01
                21            22            23            24            25 
      1  -0.313632D+01 -0.368146D+01  0.790990D+01  0.450466D+01 -0.865703D+01
      2   0.188178D+01  0.790990D+01  0.185306D+01  0.690233D+00  0.335388D+01
      3   0.177507D+01  0.450466D+01  0.690233D+00 -0.425026D+01  0.293569D+01
                26            27            28            29            30 
      1   0.335388D+01  0.293569D+01 -0.669292D+02 -0.642309D+01  0.346752D+01
      2  -0.100251D+00 -0.362669D+01 -0.642309D+01 -0.386345D+01 -0.695074D+00
      3  -0.362669D+01  0.275766D+01  0.346752D+01 -0.695074D+00 -0.227875D+01
                31            32            33            34            35 
      1  -0.154290D+02 -0.662692D+01 -0.868678D+00  0.876243D+01  0.194793D+00
      2  -0.662692D+01 -0.397440D+01 -0.133691D+01  0.194793D+00 -0.180171D+00
      3  -0.868678D+00 -0.133691D+01  0.189102D+01 -0.443525D+01  0.205557D+01
                36            37            38            39            40 
      1  -0.443525D+01  0.616438D+02  0.880035D+01 -0.504822D+01  0.158681D+02
      2   0.205557D+01  0.880035D+01  0.287324D+01  0.452467D+00  0.535527D+01
      3  -0.131096D+01 -0.504822D+01  0.452467D+00  0.817585D+00  0.856504D-01
                41            42            43            44            45 
      1   0.535527D+01  0.856504D-01 -0.818007D+01  0.406155D-03  0.346246D+01
      2   0.316402D+01  0.107019D+01  0.406155D-03  0.148485D-02 -0.318921D+01
      3   0.107019D+01 -0.317043D+01  0.346246D+01 -0.318921D+01  0.134168D+01
                46            47            48            49            50 
      1  -0.444050D+02 -0.902864D+01  0.537164D+01 -0.129187D+02 -0.302857D+01
      2  -0.902864D+01 -0.120039D+01  0.180224D+01 -0.302857D+01 -0.801493D+00
      3   0.537164D+01  0.180224D+01 -0.265600D+00  0.276843D+01 -0.613000D+00
                51            52            53            54            55 
      1   0.276843D+01  0.637997D+01  0.288044D+01 -0.187704D+01  0.392623D+02
      2  -0.613000D+00  0.288044D+01 -0.153911D+00  0.195594D+01  0.740675D+01
      3   0.216928D+01 -0.187704D+01  0.195594D+01 -0.268832D+01 -0.508066D+01
                56            57            58            59            60 
      1   0.740675D+01 -0.508066D+01  0.192252D+02  0.775890D+01 -0.146242D+01
      2   0.237809D+01 -0.125412D+01  0.775890D+01  0.487430D+01 -0.178094D+01
      3  -0.125412D+01  0.197731D+01 -0.146242D+01 -0.178094D+01  0.300539D+00
                61            62            63            64            65 
      1  -0.208245D+02 -0.350365D+01  0.556751D+01  0.878866D+01 -0.529760D+01
      2  -0.350365D+01 -0.110406D+01  0.144300D+01 -0.529760D+01 -0.218971D+01
      3   0.556751D+01  0.144300D+01 -0.340049D+01 -0.322242D+01  0.563288D+00
                66            67            68            69            70 
      1  -0.322242D+01 -0.443202D+01 -0.175338D+01  0.788911D+00 -0.755111D+01
      2   0.563288D+00 -0.175338D+01  0.713050D+00 -0.242545D+01  0.112376D+01
      3   0.216228D+01  0.788911D+00 -0.242545D+01 -0.884390D+00  0.307000D+01
                71            72            73            74            75 
      1   0.112376D+01  0.307000D+01  0.724687D+00  0.117236D+01 -0.566723D+00
      2  -0.280225D+01 -0.257970D+01  0.117236D+01 -0.356897D+01 -0.339151D+01
      3  -0.257970D+01  0.613847D+01 -0.566723D+00 -0.339151D+01  0.218811D+01
                76            77            78            79            80 
      1   0.184292D+01 -0.320199D+01 -0.472625D+01 -0.152975D+01 -0.442459D+01
      2  -0.320199D+01 -0.245164D+01 -0.145630D+01 -0.442459D+01 -0.193209D+01
      3  -0.472625D+01 -0.145630D+01 -0.135109D+01  0.388822D+01 -0.716734D+00
                81            82            83            84            85 
      1   0.388822D+01 -0.100939D+02 -0.724843D+01 -0.236346D+01 -0.987107D+01
      2  -0.716734D+00 -0.724843D+01 -0.279173D+01  0.106397D+01 -0.519449D+01
      3   0.146878D+01 -0.236346D+01  0.106397D+01  0.182719D-01  0.234262D+00
                86            87            88            89            90 
      1  -0.519449D+01  0.234262D+00  0.526884D+01  0.220966D+01  0.142783D-01
      2   0.104229D+01  0.206803D+00  0.220966D+01  0.131960D+01  0.532693D+01
      3   0.206803D+00  0.364108D+01  0.142783D-01  0.532693D+01  0.232870D+01
                91            92            93            94            95 
      1  -0.977879D+01 -0.748982D+00 -0.293907D+01 -0.233902D+01  0.145148D+01
      2  -0.748982D+00  0.254290D+01 -0.412944D+00  0.145148D+01  0.442604D+01
      3  -0.293907D+01 -0.412944D+00  0.336498D+01 -0.104510D+01  0.871892D-01
                96            97            98            99           100 
      1  -0.104510D+01 -0.895592D+00 -0.917142D+00  0.324426D+01 -0.524490D+01
      2   0.871892D-01 -0.917142D+00  0.795632D+00 -0.256920D+01  0.194074D+00
      3  -0.290529D+01  0.324426D+01 -0.256920D+01  0.208583D+00 -0.267848D+01
               101           102           103           104           105 
      1   0.194074D+00 -0.267848D+01  0.165052D+01 -0.852906D+00  0.138370D+01
      2  -0.611636D+00  0.439544D+00 -0.852906D+00  0.849783D+00 -0.627486D+00
      3   0.439544D+00 -0.236973D+01  0.138370D+01 -0.627486D+00  0.134275D+01
               106           107           108           109           110 
      1  -0.435037D+01  0.826971D+00 -0.388971D+01 -0.729412D+01 -0.249413D+01
      2   0.826971D+00 -0.126194D+01  0.306741D+00 -0.249413D+01 -0.138239D+01
      3  -0.388971D+01  0.306741D+00 -0.457932D+01  0.219961D+01  0.102587D+01
               111           112           113           114           115 
      1   0.219961D+01 -0.261709D+01 -0.207654D+01  0.132337D+01  0.524521D+01
      2   0.102587D+01 -0.207654D+01 -0.184571D+01  0.961463D+00  0.211452D+01
      3  -0.179646D+01  0.132337D+01  0.961463D+00 -0.828235D+00 -0.331894D+01
               116           117           118           119           120 
      1   0.211452D+01 -0.331894D+01  0.835604D-01  0.591377D+00 -0.667008D+00
      2   0.184015D+01 -0.109625D+01  0.591377D+00 -0.235995D+00 -0.257245D+00
      3  -0.109625D+01  0.249943D+01 -0.667008D+00 -0.257245D+00 -0.318807D-01
               121           122           123           124           125 
      1   0.207858D+01 -0.579453D+00 -0.541909D-01 -0.680927D+00  0.603435D-01
      2  -0.579453D+00  0.126514D+01 -0.138565D+01  0.603435D-01 -0.178288D+01
      3  -0.541909D-01 -0.138565D+01  0.228029D+01 -0.583149D+00  0.164068D+01
               126           127           128           129           130 
      1  -0.583149D+00  0.102746D+01 -0.317588D+00  0.634522D+00  0.144974D+00
      2   0.164068D+01 -0.317588D+00  0.167072D+01 -0.526885D+00  0.690645D+00
      3  -0.603494D+01  0.634522D+00 -0.526885D+00  0.529557D+00 -0.354100D+00
               131           132           133           134           135 
      1   0.690645D+00 -0.354100D+00  0.122687D+01 -0.397523D+00  0.170382D+00
      2  -0.546446D+01  0.165828D+01 -0.397523D+00  0.350295D+01 -0.229239D+01
      3   0.165828D+01 -0.171773D+01  0.170382D+00 -0.229239D+01  0.208138D+01
               136           137           138           139           140 
      1   0.145296D+01 -0.245631D+00 -0.702189D+00  0.191013D+01 -0.450171D+00
      2  -0.245631D+00  0.235975D+00 -0.133641D+00 -0.450171D+00 -0.452994D+01
      3  -0.702189D+00 -0.133641D+00 -0.504970D-01 -0.591918D+00 -0.296873D+01
               141           142           143           144           145 
      1  -0.591918D+00 -0.252193D+01 -0.147757D+01 -0.116189D+01  0.488353D+00
      2  -0.296873D+01 -0.147757D+01 -0.501311D+01 -0.509080D+01 -0.585078D+00
      3  -0.277396D+01 -0.116189D+01 -0.509080D+01 -0.643379D+01  0.904328D+00
               146           147           148           149           150 
      1  -0.585078D+00  0.904328D+00 -0.687855D+00  0.935075D+00 -0.164521D+00
      2   0.930552D+00 -0.337361D+00  0.935075D+00 -0.549638D+01  0.248065D+01
      3  -0.337361D+00  0.354569D+00 -0.164521D+00  0.248065D+01 -0.295119D+01
               151           152           153           154           155 
      1   0.579821D+00 -0.229711D+00  0.547738D-01 -0.661164D+01  0.163882D+01
      2  -0.229711D+00  0.168274D+01 -0.144160D+01  0.163882D+01 -0.111040D+01
      3   0.547738D-01 -0.144160D+01  0.150422D+01  0.446076D+01 -0.100137D+01
               156           157           158           159           160 
      1   0.446076D+01  0.148791D+01 -0.102912D+01 -0.103641D+01  0.207328D+01
      2  -0.100137D+01 -0.102912D+01  0.747661D+00  0.145252D+01 -0.767789D+00
      3  -0.443470D+01 -0.103641D+01  0.145252D+01  0.156485D+01 -0.293992D+01
               161           162           163           164           165 
      1  -0.767789D+00 -0.293992D+01  0.361920D+01  0.176754D+01  0.172290D+01
      2   0.813047D+00  0.100600D+01  0.176754D+01  0.196158D+01  0.116978D+01
      3   0.100600D+01  0.375276D+01  0.172290D+01  0.116978D+01  0.242603D+01
               166           167           168           169           170 
      1   0.168769D+01  0.149242D+01  0.859204D+00  0.558232D+00  0.549165D+00
      2   0.149242D+01  0.218644D+01  0.183062D+01  0.549165D+00  0.990925D+00
      3   0.859204D+00  0.183062D+01  0.223445D+01  0.996673D+00  0.110026D+01
               171           172           173           174           175 
      1   0.996673D+00 -0.158761D+01  0.102644D+01 -0.879201D+00  0.529818D+00
      2   0.110026D+01  0.102644D+01 -0.200495D+00  0.282508D+00 -0.132475D+00
      3   0.184506D+01 -0.879201D+00  0.282508D+00 -0.122160D+01  0.202069D+00
               176           177           178           179           180 
      1  -0.132475D+00  0.202069D+00 -0.138455D+01  0.906282D+00 -0.218511D+01
      2   0.572839D+00 -0.896259D+00  0.906282D+00 -0.225919D+01  0.222858D+01
      3  -0.896259D+00  0.620637D+00 -0.218511D+01  0.222858D+01 -0.745984D+01
               181           182           183           184           185 
      1   0.217227D+01  0.210372D+01  0.774193D+00  0.156759D+01  0.165975D+01
      2   0.210372D+01  0.442330D+01  0.481864D+00  0.165975D+01  0.525285D+01
      3   0.774193D+00  0.481864D+00  0.826658D+00  0.296682D+00  0.801877D+00
               186           187           188           189           190 
      1   0.296682D+00  0.100808D+01  0.164267D+00  0.192769D+00 -0.805820D+01
      2   0.801877D+00  0.164267D+00  0.166067D+01  0.122551D+01  0.443291D+01
      3   0.855985D+00  0.192769D+00  0.122551D+01  0.199291D+00  0.228149D+01
               191           192           193           194           195 
      1   0.443291D+01  0.228149D+01  0.882781D+00 -0.221019D+01 -0.809525D+00
      2  -0.301999D+01 -0.998921D+00 -0.221019D+01  0.235242D+01  0.963162D+00
      3  -0.998921D+00 -0.182266D+01 -0.809525D+00  0.963162D+00  0.612593D+00
               196           197           198           199           200 
      1   0.421342D+01 -0.205911D+01 -0.225365D+01 -0.154782D+01 -0.947385D+00
      2  -0.205911D+01  0.232909D+01  0.145656D+01 -0.947385D+00 -0.513823D-01
      3  -0.225365D+01  0.145656D+01  0.133253D+01  0.115190D+01 -0.218065D+00
               201           202           203           204           205 
      1   0.115190D+01 -0.163511D+01  0.946541D+00  0.332432D+00  0.147351D+01
      2  -0.218065D+00  0.946541D+00 -0.126293D+01  0.148582D+01  0.425105D+00
      3   0.315315D+00  0.332432D+00  0.148582D+01 -0.182729D+01  0.539280D+00
               206           207           208           209           210 
      1   0.425105D+00  0.539280D+00  0.851555D+00  0.632327D+00 -0.818247D+00
      2   0.161390D+01 -0.179229D+01  0.632327D+00  0.903739D-01 -0.286131D-01
      3  -0.179229D+01  0.376838D+01 -0.818247D+00 -0.286131D-01 -0.595374D-02
               211           212           213           214           215 
      1   0.123282D+01 -0.385056D-01 -0.398266D+00 -0.158959D+01 -0.300616D+00
      2  -0.385056D-01  0.199006D+01 -0.199477D+01 -0.300616D+00 -0.209372D+01
      3  -0.398266D+00 -0.199477D+01  0.292486D+01  0.950716D-01  0.265509D+01
               216           217           218           219           220 
      1   0.950716D-01  0.104981D+01 -0.606476D+00  0.777599D-01 -0.252760D+01
      2   0.265509D+01 -0.606476D+00 -0.124458D+01  0.293514D+00  0.529654D+00
      3  -0.598109D+01  0.777599D-01  0.293514D+00 -0.955647D+00 -0.780914D+00
               221           222           223           224           225 
      1   0.529654D+00 -0.780914D+00  0.792637D+00  0.230757D+00 -0.760310D-01
      2  -0.785034D+01  0.102477D+01  0.230757D+00 -0.491502D+00 -0.574008D+00
      3   0.102477D+01 -0.159760D+01 -0.760310D-01 -0.574008D+00  0.346147D+00
               226           227           228           229           230 
      1  -0.425290D+00  0.757024D+00  0.104013D+01  0.767816D+00 -0.389000D+00
      2   0.757024D+00 -0.103638D+01 -0.153713D+00 -0.389000D+00  0.444679D+00
      3   0.104013D+01 -0.153713D+00 -0.295455D+01 -0.955448D-01  0.121737D+01
               231           232           233           234           235 
      1  -0.955448D-01  0.305575D+01 -0.440757D+00 -0.534813D+00  0.103948D+02
      2   0.121737D+01 -0.440757D+00  0.120550D+01  0.100592D+01 -0.600084D+00
      3   0.234146D+01 -0.534813D+00  0.100592D+01  0.595099D+01  0.321544D+01
               236           237           238           239           240 
      1  -0.600084D+00  0.321544D+01  0.546295D+00  0.969371D+00  0.336373D+00
      2   0.110589D+01 -0.169808D+00  0.969371D+00 -0.379285D+00  0.396199D+00
      3  -0.169808D+00  0.198887D+01  0.336373D+00  0.396199D+00  0.522883D+00
               241           242           243 
      1   0.187625D+01  0.509376D-01  0.134597D+01
      2   0.509376D-01  0.136342D+00  0.168882D+00
      3   0.134597D+01  0.168882D+00  0.121080D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.612880D+01 -0.590275D+01  0.423653D-01 -0.528918D+01  0.106796D+02
      2   0.996933D+01  0.793975D+01  0.107463D+02  0.702975D+01  0.135864D+02
      3  -0.722846D+01 -0.805715D+01 -0.165478D+01 -0.421447D+01  0.540712D+01
                 6             7             8             9            10 
      1  -0.117655D+02 -0.124705D+01 -0.444296D+01 -0.281417D+01  0.209477D+01
      2   0.106275D+01  0.132889D+01  0.263639D+01 -0.954386D+01 -0.259627D+02
      3  -0.636766D+01 -0.506864D+00 -0.475855D+01 -0.207868D+01  0.148859D+02
                11            12            13            14            15 
      1   0.260314D+01  0.161279D+01  0.156913D+01 -0.456596D+01 -0.479865D+01
      2  -0.150700D+01  0.895070D+01 -0.131201D+01 -0.103013D+02 -0.591366D+01
      3   0.509307D+01  0.435988D+01  0.161360D+02  0.265178D+01  0.711781D+01
                16            17            18            19            20 
      1   0.419219D+00  0.549861D+01  0.450557D+01 -0.308617D+01 -0.657264D+00
      2   0.127560D+02 -0.664332D+01  0.928277D+01  0.335002D+02  0.250771D+01
      3  -0.883630D+00  0.759165D+01  0.476853D+01 -0.190743D+02 -0.562016D+01
                21            22            23            24            25 
      1  -0.908582D+00  0.173610D+01 -0.132334D+01 -0.444103D+01  0.144417D-01
      2   0.114007D+01  0.168667D+01  0.644460D+01  0.762219D+01 -0.179622D+02
      3   0.147482D+00  0.294309D+01 -0.602696D+01 -0.104299D+01 -0.175182D+01
                26            27            28            29            30 
      1   0.366888D+00  0.443841D+01  0.792641D+01 -0.119485D+01 -0.862700D+00
      2   0.544526D+01 -0.223475D+00 -0.351849D+02 -0.567956D+01 -0.296480D+01
      3  -0.320197D+01 -0.359681D+01  0.153499D+02  0.670628D+01  0.687877D+00
                31            32            33            34            35 
      1  -0.621574D+01  0.366408D-01 -0.230760D+01 -0.405287D+01  0.327530D+01
      2  -0.173762D+02 -0.452546D+01 -0.974874D+00 -0.243251D+02 -0.328158D+01
      3   0.363922D+02  0.910865D+01 -0.151229D+01  0.409645D+01  0.112356D+01
                36            37            38            39            40 
      1  -0.380459D+01 -0.810057D+01  0.292189D+01  0.201238D+01  0.845840D+01
      2   0.563465D+00  0.250058D+02  0.662045D+01  0.471332D+01  0.168432D+02
      3   0.800063D+00 -0.228364D+02 -0.116139D+02 -0.847252D+00 -0.102058D+01
                41            42            43            44            45 
      1   0.748860D+00 -0.517993D+00  0.113226D+02  0.198385D+01  0.714176D+00
      2   0.618225D+01 -0.580075D+01 -0.118816D+02 -0.725888D+01  0.971678D+01
      3  -0.214242D+01 -0.417209D+01 -0.334973D+01 -0.546340D+01  0.420150D+01
                46            47            48            49            50 
      1   0.682545D+01 -0.113361D+02 -0.297229D+01 -0.387084D+01  0.855980D+01
      2  -0.679013D+01 -0.686084D+01 -0.927879D+01 -0.520097D+01 -0.166292D+01
      3   0.165931D+02  0.174373D+02  0.663733D+00  0.252755D+02  0.520722D+01
                51            52            53            54            55 
      1  -0.123509D+02 -0.102039D+01  0.379070D+00 -0.118630D+02 -0.411066D+01
      2   0.285750D+00 -0.178193D+02  0.413206D+01 -0.104426D+02  0.901578D+01
      3   0.490533D+01  0.647336D+00  0.101904D+01 -0.343763D+01 -0.129694D+02
                56            57            58            59            60 
      1   0.338296D+01 -0.326624D-01 -0.401675D+01 -0.320728D+01 -0.214923D+00
      2   0.196761D+01  0.167802D+02  0.755536D+01 -0.107971D+01  0.649533D+01
      3  -0.194470D+02  0.183879D+01 -0.152917D+02 -0.169026D+02  0.325539D+01
                61            62            63            64            65 
      1   0.380821D+00  0.254994D+01  0.344855D+01  0.730724D+01 -0.141681D+01
      2   0.991177D+00  0.137554D+01 -0.104307D+02  0.111647D+02 -0.245054D+01
      3   0.494818D+01  0.788173D+01 -0.305482D+01 -0.958681D+01 -0.220692D+02
                66            67            68            69            70 
      1  -0.568770D+01 -0.211103D+00  0.606333D+01  0.235636D+01 -0.901273D+01
      2  -0.390375D+01 -0.207504D+01  0.585678D+01  0.292058D+01 -0.126409D+02
      3  -0.567038D+01 -0.103769D+02 -0.507369D+01 -0.565936D+01 -0.236350D+01
                71            72            73            74            75 
      1   0.948594D+01 -0.143213D+02 -0.511390D+00 -0.260320D+01  0.335962D+01
      2   0.701053D+01 -0.153473D+02  0.210008D+01  0.144143D+02 -0.617022D+01
      3  -0.531566D+01 -0.740164D+00  0.678713D+01 -0.187497D+02 -0.145707D+02
                76            77            78            79            80 
      1  -0.309573D+01 -0.663665D+00 -0.260463D+01  0.576704D+01  0.143060D+01
      2   0.182861D+02  0.457567D+01  0.211464D+01 -0.196319D+02 -0.125975D+01
      3  -0.977501D+01 -0.446636D+01 -0.201493D+01 -0.167816D+02 -0.151745D+01
                81            82            83            84            85 
      1   0.166980D+01 -0.861480D+00  0.530412D+01 -0.143223D+01  0.462653D+01
      2  -0.371569D+01 -0.420331D+01 -0.921147D+01 -0.517126D+00 -0.136788D+02
      3  -0.559866D+01 -0.779619D+01  0.590046D+01  0.571686D+01  0.166698D+02
                86            87            88            89            90 
      1  -0.106260D+01  0.705819D+01 -0.127883D+01  0.164993D+02  0.123991D+01
      2  -0.532581D+01 -0.559956D+01 -0.218908D+01 -0.661748D+01 -0.302258D+01
      3   0.966399D+01 -0.226753D+01  0.740647D+01 -0.243622D+01  0.970129D+01
                91            92            93            94            95 
      1  -0.211648D+01  0.602254D+01  0.462738D+01 -0.427378D+01  0.901647D+01
      2  -0.316491D+01 -0.733716D+00  0.206607D+02 -0.246864D+01 -0.370858D+01
      3   0.679155D+01 -0.115545D+02  0.374811D+01  0.391548D+00 -0.175806D+02
                96            97            98            99           100 
      1  -0.853237D+01 -0.180769D+01  0.422595D+01 -0.556757D+01 -0.219007D+01
      2  -0.122927D+02  0.859817D+01 -0.892382D+01 -0.453010D+01  0.538336D+01
      3   0.663086D+00  0.333529D+01 -0.454253D+01  0.639197D+01  0.492925D+01
               101           102           103           104           105 
      1   0.165370D+01 -0.197513D+01  0.935410D+00 -0.164981D+01  0.331437D+00
      2  -0.194749D+01  0.875724D+01 -0.399792D+01  0.164462D+01 -0.429241D+01
      3  -0.382044D+01  0.403942D+01 -0.177931D+01  0.461951D+01 -0.291013D+01
               106           107           108           109           110 
      1  -0.357830D+01  0.334062D+01 -0.361467D+01  0.275290D+01  0.432117D+00
      2   0.844805D+01 -0.998180D+00  0.144345D+02 -0.929368D+01 -0.432217D+01
      3   0.673020D+01 -0.629031D+01  0.448387D+01 -0.521924D+00 -0.514547D+01
               111           112           113           114           115 
      1  -0.279059D+01  0.221486D+01  0.850219D+00 -0.230887D+01 -0.315449D+01
      2   0.967357D+01 -0.571332D+01 -0.411679D+01  0.430080D+01  0.106705D+02
      3   0.141505D+01 -0.166161D+01 -0.486698D+01  0.192130D+01  0.270009D+01
               116           117           118           119           120 
      1   0.427662D+00  0.342665D+01 -0.317667D+00 -0.575882D-01  0.133818D+00
      2   0.390065D+01 -0.113804D+02  0.244865D+01  0.501210D+00  0.828229D+00
      3   0.608717D+01 -0.576990D+00  0.829195D+00 -0.975449D+00  0.380431D+00
               121           122           123           124           125 
      1  -0.208310D+01 -0.261304D+01  0.553259D+00 -0.119621D+01  0.457592D+01
      2   0.159277D+01  0.561941D+00 -0.272012D+01 -0.372400D+01 -0.162680D+01
      3   0.193395D+01  0.830140D+00 -0.118681D+01  0.279013D+00 -0.164440D+01
               126           127           128           129           130 
      1  -0.276305D+01  0.236276D+01 -0.214732D+01  0.248209D+01 -0.177427D+01
      2   0.546238D+01 -0.570806D+00  0.866990D+00  0.552513D+00  0.145026D+01
      3   0.207810D+01 -0.312525D+01  0.211835D+01 -0.269891D+01  0.405602D+01
               131           132           133           134           135 
      1   0.738833D+01 -0.754719D+01  0.998868D+00 -0.644930D+01  0.880689D+01
      2  -0.203646D+01  0.224082D+01 -0.838596D+00  0.337068D+01 -0.295167D+01
      3  -0.111246D+02  0.402364D+01 -0.479758D+01  0.726358D+01 -0.523045D+01
               136           137           138           139           140 
      1  -0.925674D+00 -0.676032D+00  0.516922D-01 -0.471813D+00 -0.570375D+00
      2   0.204514D+01  0.255186D+00  0.545101D+00  0.535165D+00  0.472148D+01
      3  -0.121285D+01 -0.336750D+00  0.814828D+00  0.132961D+01 -0.791091D+01
               141           142           143           144           145 
      1  -0.526599D+01 -0.124035D+00 -0.318099D+01 -0.101122D+02 -0.155094D+01
      2   0.471048D+01 -0.285124D+01  0.750591D+01  0.101990D+02 -0.437548D+01
      3  -0.445745D+01  0.227451D+01 -0.728783D+01 -0.804383D+01 -0.156757D+01
               146           147           148           149           150 
      1   0.302492D+01 -0.294463D+00  0.275426D+01 -0.151173D+02  0.234307D+01
      2   0.223845D+01 -0.149786D+01  0.418086D+01 -0.777971D+01  0.586165D+01
      3   0.102766D+01 -0.317168D+00  0.410380D+01 -0.890881D+01  0.406906D+01
               151           152           153           154           155 
      1  -0.308438D+00  0.490367D+01 -0.291804D+01  0.195723D+01 -0.336929D+01
      2  -0.257237D+01  0.343625D+01 -0.283906D+01  0.445916D+01 -0.132911D+01
      3  -0.744440D+00  0.257985D+01 -0.245992D+01  0.132919D+01 -0.385533D+01
               156           157           158           159           160 
      1   0.134126D+00 -0.150726D+01  0.116992D+01  0.953636D+00 -0.939805D+00
      2   0.356159D+01 -0.204497D+01 -0.137355D+01 -0.181413D+01 -0.350731D+01
      3  -0.676844D+00 -0.727410D+00  0.162475D+01  0.247286D+01 -0.555562D-01
               161           162           163           164           165 
      1   0.335170D+01  0.326567D+00  0.316414D+01  0.497545D+01  0.296674D+00
      2  -0.294487D+00 -0.212727D+01 -0.152319D+02 -0.689344D+01 -0.693152D+01
      3   0.235297D+01  0.997697D+00  0.687450D+01  0.280970D+01  0.303301D+01
               166           167           168           169           170 
      1   0.290926D+01  0.410586D+01  0.675124D+00  0.857189D+00  0.317140D+01
      2  -0.757226D+01 -0.755658D+01 -0.535453D+01 -0.573609D+01 -0.360479D+01
      3   0.562200D+01  0.370566D+01  0.391679D+01  0.154796D+01  0.124040D+01
               171           172           173           174           175 
      1   0.136607D+01  0.168319D+01 -0.254182D+00  0.296768D+01 -0.851158D+00
      2  -0.546545D+01  0.155712D+01 -0.611078D+00  0.361768D+01 -0.266801D+00
      3   0.278027D+01  0.714245D+00  0.358024D+00 -0.822381D+00  0.129691D+01
               176           177           178           179           180 
      1   0.190773D+01 -0.245886D+01  0.428663D+01 -0.356523D+00  0.171841D+02
      2   0.211025D+01 -0.149384D+01  0.197340D+01 -0.488409D+01  0.183008D+02
      3   0.114874D+01 -0.167441D+01 -0.157099D+01 -0.495699D+01  0.235683D+01
               181           182           183           184           185 
      1  -0.203291D+01 -0.912674D+00 -0.339996D+01 -0.117339D+01 -0.234996D+01
      2  -0.164489D+01 -0.811842D+00 -0.275633D+00 -0.343282D+00 -0.152128D+01
      3   0.150805D+02  0.151351D+02  0.336300D+01  0.106483D+02  0.178258D+02
               186           187           188           189           190 
      1  -0.422693D+01 -0.767400D+00 -0.121918D+01 -0.640298D+00 -0.531902D+01
      2  -0.974307D+00 -0.130241D+01 -0.262975D+01 -0.233051D+00 -0.624233D+01
      3   0.305955D+01  0.293582D+01  0.464784D+01  0.378724D+01 -0.378899D+01
               191           192           193           194           195 
      1   0.181648D+01  0.560435D+01  0.261540D+01 -0.230098D+01 -0.306066D+01
      2   0.309816D+01  0.778034D+01  0.160537D+01 -0.292917D+01 -0.287248D+01
      3  -0.270184D+01  0.215530D+01  0.212694D+01  0.291966D+01  0.730201D+00
               196           197           198           199           200 
      1   0.443418D+01 -0.141047D+01 -0.328460D+01 -0.376064D-01  0.402908D+00
      2   0.529683D+01 -0.359457D+01 -0.452260D+01 -0.660921D+00 -0.474999D+00
      3   0.141205D+01  0.383951D+01 -0.290870D+00  0.995249D+00  0.405766D+00
               201           202           203           204           205 
      1   0.261178D+00  0.471068D+01  0.870947D+00 -0.299546D+01  0.263237D+01
      2  -0.107567D+00  0.152881D+01  0.141222D+01 -0.732116D+00 -0.241077D+01
      3  -0.810877D+00  0.279252D+01  0.107768D+00 -0.250205D+00 -0.224243D+01
               206           207           208           209           210 
      1   0.121682D+01  0.351377D+01 -0.926299D+00  0.518788D+00 -0.309321D-01
      2   0.212463D+00  0.254502D+01 -0.845158D+00  0.202691D-01  0.802934D+00
      3  -0.755916D+00  0.493455D+00 -0.178784D+01 -0.806723D+00  0.456917D+00
               211           212           213           214           215 
      1   0.159655D+01 -0.207966D+01 -0.246570D+00  0.665363D+00  0.374696D+01
      2   0.231455D+00 -0.416908D+01  0.541965D+01 -0.384030D+01  0.485215D+01
      3   0.362043D+01 -0.367704D+01  0.440689D+01  0.782528D+00  0.444960D+01
               216           217           218           219           220 
      1   0.716413D+00  0.424100D+00 -0.258209D+01  0.161753D+00  0.117971D+01
      2  -0.108305D+02  0.688419D+00  0.230007D+01 -0.261727D+01  0.122175D+00
      3  -0.543078D+01  0.210490D+01  0.478276D+01 -0.120018D+01  0.835592D+00
               221           222           223           224           225 
      1  -0.131441D+02  0.800399D-01  0.205034D+01 -0.968844D+00 -0.399546D+00
      2   0.452451D+01 -0.398341D+01  0.995022D-01 -0.183888D+01  0.217320D+01
      3   0.281524D+02 -0.358557D+01 -0.194332D+01  0.209652D+01  0.215541D+01
               226           227           228           229           230 
      1   0.279937D+00 -0.186204D+01 -0.440962D+01  0.765975D+00  0.191480D+01
      2   0.625797D+01 -0.192542D+01 -0.133218D+02 -0.158322D+01  0.583701D+01
      3  -0.152247D+01  0.196419D+01  0.350115D-01  0.650361D+00 -0.865933D+00
               231           232           233           234           235 
      1   0.394037D+01 -0.179528D+01  0.347742D+01  0.743871D+01  0.143760D+01
      2   0.977980D+01 -0.661569D+01  0.433095D+01  0.240187D+02 -0.126019D+01
      3  -0.431143D+01  0.192097D-01 -0.306548D+01 -0.292557D+01 -0.450828D+01
               236           237           238           239           240 
      1   0.191320D+01  0.104896D+01  0.597447D+00 -0.315201D+00 -0.246309D+00
      2  -0.320663D+00  0.607474D+01  0.985471D+00  0.628617D+00  0.200444D+01
      3  -0.609748D+01 -0.123850D+01 -0.216447D+01  0.839744D+00 -0.961137D+00
               241           242           243 
      1   0.716529D+00  0.123306D+01  0.959833D+00
      2  -0.126652D+00  0.981571D+00  0.274168D+01
      3  -0.212366D+01 -0.936726D+00 -0.153106D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.436169D+01  0.139792D+02  0.204022D+02  0.124725D+02  0.156010D+02
      2   0.806298D+01 -0.105437D+02 -0.186764D+02 -0.100702D+02  0.204009D+01
      3  -0.124247D+02 -0.343549D+01 -0.172587D+01 -0.240230D+01 -0.176411D+02
      4   0.139594D+02  0.316590D+01 -0.756864D+01  0.609806D+01 -0.163832D+02
      5   0.290805D+02 -0.136098D+02 -0.278707D+02 -0.151144D+02  0.608340D+01
      6  -0.157953D+02 -0.869886D+01  0.257838D+01 -0.703952D+01  0.100937D+02
                 6             7             8             9            10 
      1   0.791342D+00  0.133456D+02  0.218022D-01 -0.176128D+02 -0.271884D+02
      2   0.288077D+01 -0.131662D+02  0.238964D+01 -0.176749D+01  0.226634D+02
      3  -0.367211D+01 -0.179421D+00 -0.241144D+01  0.193803D+02  0.452501D+01
      4   0.120192D+02 -0.776951D+01  0.831443D+01  0.791432D+01 -0.407877D+02
      5   0.472962D+01 -0.270002D+02  0.698842D+01 -0.302910D+01 -0.155932D+02
      6  -0.129139D+02  0.381544D+01 -0.120674D+02 -0.110998D+01  0.141646D+02
                11            12            13            14            15 
      1  -0.220625D+02 -0.100460D+02 -0.318103D+02 -0.276320D+02 -0.124007D+02
      2   0.177468D+02  0.735030D+01  0.229590D+02  0.285745D+01  0.646519D+01
      3   0.431561D+01  0.269570D+01  0.885124D+01  0.247746D+02  0.593550D+01
      4  -0.630474D+00  0.496430D+01 -0.787560D+01  0.531337D+01 -0.144682D+02
      5   0.219243D+01  0.156561D+02  0.355660D+01 -0.100919D+02 -0.648687D+01
      6  -0.250812D+01 -0.260291D+01  0.118433D+01  0.105809D+02  0.705711D+01
                16            17            18            19            20 
      1  -0.581150D+00 -0.104004D+02  0.125716D+02  0.819695D+02  0.143161D+02
      2  -0.640472D+01  0.986249D+01  0.106063D+01 -0.673075D+02 -0.142375D+02
      3   0.698587D+01  0.537924D+00 -0.136323D+02 -0.146620D+02 -0.786101D-01
      4   0.952862D+01 -0.199609D+02 -0.150130D+02  0.219996D+02 -0.163701D+02
      5   0.159368D+02 -0.111075D+02  0.176468D+02 -0.189936D+02 -0.946506D+01
      6  -0.892344D+01  0.594880D+01 -0.712271D+01 -0.299204D+02 -0.702266D+01
                21            22            23            24            25 
      1   0.203410D+01  0.133470D+02  0.125511D+02 -0.631685D+00  0.272486D+01
      2  -0.406567D+01 -0.161466D+02 -0.856234D+01 -0.673073D+01  0.276029D+01
      3   0.203157D+01  0.279952D+01 -0.398880D+01  0.736241D+01 -0.548515D+01
      4  -0.912959D+01 -0.275409D+02 -0.553299D+01  0.218934D+01 -0.147885D+02
      5  -0.240743D+01 -0.141586D+02 -0.502909D+01  0.923187D+01 -0.695013D+01
      6  -0.192649D+01 -0.994414D+01 -0.688616D+01 -0.287271D+01  0.679384D+00
                26            27            28            29            30 
      1  -0.163255D+01  0.608765D+01 -0.145331D+03 -0.141586D+02  0.352040D+01
      2  -0.838262D+01  0.788486D+01  0.942000D+02  0.813950D+01 -0.349376D+01
      3   0.100152D+02 -0.139725D+02  0.511311D+02  0.601913D+01 -0.266389D-01
      4   0.722346D+01  0.100596D+02 -0.208978D+02 -0.107812D+02  0.250011D+00
      5   0.638881D+01 -0.440454D+01  0.354086D+02  0.224386D+01 -0.131382D+02
      6   0.326977D-01  0.805938D+01  0.294513D+02  0.673808D+01  0.160927D+01
                31            32            33            34            35 
      1  -0.437924D+02 -0.281293D+02 -0.654593D+01  0.263006D+02 -0.309194D+01
      2   0.310979D+02  0.213847D+02  0.462118D+01 -0.139976D+02  0.554139D+01
      3   0.126946D+02  0.674460D+01  0.192475D+01 -0.123029D+02 -0.244945D+01
      4  -0.178151D+02 -0.126473D+02 -0.330276D+01  0.185985D+01 -0.356195D+01
      5   0.670723D+01  0.197914D+01 -0.141224D+01 -0.927626D+01  0.155897D+01
      6   0.802182D+01  0.106584D+02  0.536933D+01 -0.477315D-01  0.185533D+01
                36            37            38            39            40 
      1  -0.134693D+02  0.190997D+03  0.339864D+02 -0.165934D+02  0.390932D+02
      2   0.128951D+01 -0.111434D+03 -0.197157D+02  0.103606D+02 -0.198713D+02
      3   0.121798D+02 -0.795631D+02 -0.142707D+02  0.623281D+01 -0.192219D+02
      4   0.826110D+00  0.417953D+02  0.196369D+02  0.137182D+01  0.316927D+02
      5   0.287340D+00 -0.517614D+02 -0.281707D+01  0.122698D+02 -0.235433D+01
      6   0.421870D+01 -0.273256D+02 -0.570053D+01 -0.990880D+00 -0.105502D+02
                41            42            43            44            45 
      1   0.936288D+01 -0.116496D+02 -0.818139D+01 -0.112498D+02  0.109628D+02
      2   0.138761D+01 -0.949062D+00  0.114469D+02  0.456188D+01 -0.477988D+01
      3  -0.107505D+02  0.125987D+02 -0.326555D+01  0.668795D+01 -0.618294D+01
      4   0.664942D+01  0.133478D+01  0.956652D+01  0.662969D+01 -0.109456D+02
      5   0.188611D+01 -0.134181D+02  0.184077D+02 -0.969885D+01  0.727270D+01
      6   0.245123D+00  0.242034D+00  0.998164D+00  0.766688D+00  0.113390D+02
                46            47            48            49            50 
      1  -0.175878D+03 -0.386363D+02  0.353269D+02 -0.673018D+02 -0.213635D+02
      2   0.922003D+02  0.181993D+02 -0.174651D+02  0.347272D+02  0.123003D+02
      3   0.836782D+02  0.204370D+02 -0.178618D+02  0.325746D+02  0.906325D+01
      4  -0.676215D+02 -0.322412D+02  0.107112D+02 -0.184799D+02 -0.883471D+01
      5   0.684755D+02  0.148746D+02 -0.240860D+02  0.330680D+02 -0.128444D+01
      6   0.235785D+02  0.198359D+01 -0.590674D+01  0.145423D+00  0.694730D+01
                51            52            53            54            55 
      1   0.131397D+02  0.450989D+02  0.142985D+02 -0.141474D+02  0.197928D+03
      2  -0.122865D+02 -0.170928D+02 -0.114600D+01  0.116073D+02 -0.101500D+03
      3  -0.853255D+00 -0.280061D+02 -0.131525D+02  0.254007D+01 -0.964274D+02
      4  -0.279467D+01  0.266857D+02 -0.580765D+01  0.986007D+01  0.603685D+02
      5   0.102753D+02 -0.184295D+02  0.105905D+02 -0.191030D+02 -0.650521D+02
      6   0.510313D+00  0.467457D+01 -0.423851D+01  0.659646D+01 -0.136107D+02
                56            57            58            59            60 
      1   0.381491D+02 -0.337601D+02  0.800027D+02  0.330017D+02 -0.491236D+01
      2  -0.148807D+02  0.219644D+02 -0.349874D+02 -0.571240D+01  0.141885D+01
      3  -0.232684D+02  0.117957D+02 -0.450153D+02 -0.272893D+02  0.349351D+01
      4   0.375374D+02 -0.101252D+02  0.640896D+02  0.425497D+02 -0.145957D+02
      5  -0.125122D+02  0.348067D+02 -0.227916D+02 -0.165882D+02  0.838260D+01
      6  -0.576667D+01  0.621986D+01 -0.124459D+02 -0.933265D+01  0.930440D+01
                61            62            63            64            65 
      1  -0.901710D+02 -0.124917D+02  0.257778D+02 -0.177091D+01  0.361544D+02
      2   0.531421D+02  0.536698D+01 -0.233450D+02 -0.157123D+02 -0.297693D+02
      3   0.370289D+02  0.712469D+01 -0.243285D+01  0.174832D+02 -0.638509D+01
      4  -0.262658D+02 -0.114856D+02  0.119924D+02  0.376220D+02 -0.146014D+02
      5   0.617031D+02  0.141597D+02 -0.345235D+02  0.150809D+02 -0.650979D+01
      6   0.130391D+02  0.992525D+01 -0.647439D+01 -0.165972D+02  0.337292D+01
                66            67            68            69            70 
      1   0.171442D+02  0.304718D+02  0.810952D+01  0.943091D+00  0.148845D+02
      2  -0.690120D+01 -0.248669D+02  0.200485D+01 -0.886098D+01  0.406540D+00
      3  -0.102430D+02 -0.560490D+01 -0.101144D+02  0.791789D+01 -0.152910D+02
      4  -0.158675D+02 -0.832651D+01 -0.151699D+02  0.116560D+02 -0.219897D+02
      5  -0.116060D+02 -0.620456D+01  0.115957D+02  0.525927D+01 -0.148909D+02
      6   0.866015D+01  0.466031D+01 -0.121736D+02 -0.535515D+01  0.135256D+02
                71            72            73            74            75 
      1  -0.182117D+01 -0.846639D+01 -0.115520D+02 -0.117375D+02 -0.287988D+01
      2  -0.104321D+02  0.637759D+01  0.728317D+01  0.442195D+01  0.845131D+01
      3   0.122532D+02  0.208880D+01  0.426883D+01  0.731559D+01 -0.557144D+01
      4   0.147736D+02  0.195123D+02 -0.118984D+02  0.642231D+01  0.181759D+02
      5   0.130229D+02 -0.313455D+02  0.692192D+01  0.185012D+02 -0.222138D+02
      6  -0.572468D+01  0.213222D+02  0.390088D+01  0.984358D+01  0.110130D+01
                76            77            78            79            80 
      1  -0.128148D+02  0.231271D+02  0.312325D+02  0.475572D+01  0.315292D+02
      2   0.641689D+01 -0.103417D+02 -0.165678D+02  0.778866D+01 -0.192428D+02
      3   0.639789D+01 -0.127854D+02 -0.146647D+02 -0.125444D+02 -0.122864D+02
      4   0.143543D+02  0.151329D+02  0.126119D+02  0.332211D+02  0.179160D+02
      5   0.310585D+02  0.849438D+01  0.618174D+01 -0.331899D+02  0.365671D+01
      6   0.808694D+01  0.143582D+01 -0.174967D+01 -0.224696D+01 -0.380003D+00
                81            82            83            84            85 
      1  -0.257186D+02 -0.456757D+02  0.177136D+01  0.953562D+01  0.590799D+01
      2   0.177042D+02  0.412574D+02  0.110365D+02 -0.838374D+01  0.924690D+01
      3   0.801438D+01  0.441834D+01 -0.128079D+02 -0.115188D+01 -0.151549D+02
      4  -0.261374D+00  0.187590D+02  0.180110D+02  0.133919D+01  0.256876D+02
      5  -0.119446D+02  0.138838D+02  0.360377D+01  0.157743D+01  0.300239D+01
      6   0.541669D+01  0.207168D+02 -0.373338D-01  0.168435D+00  0.192761D+01
                86            87            88            89            90 
      1   0.899938D+01 -0.424324D+01  0.293170D+02  0.223039D+01  0.242768D+02
      2  -0.189915D+01  0.129417D+02 -0.239203D+02  0.105602D+02 -0.196855D+02
      3  -0.710023D+01 -0.869841D+01 -0.539666D+01 -0.127906D+02 -0.459131D+01
      4   0.216355D+01 -0.524773D+01 -0.145906D+01 -0.996855D+01 -0.154857D+02
      5   0.240430D+01 -0.117864D+02 -0.549346D+00 -0.185336D+02 -0.695947D+01
      6  -0.937598D+00 -0.171910D+02 -0.727176D+01 -0.293263D+02 -0.193967D+02
                91            92            93            94            95 
      1  -0.637227D+02  0.110858D+01 -0.357007D+02 -0.108651D+02  0.227219D+02
      2   0.388545D+02 -0.700750D+01  0.825608D+01  0.430162D+01 -0.244686D+02
      3   0.248682D+02  0.589892D+01  0.274446D+02  0.656349D+01  0.174665D+01
      4   0.112378D+01  0.181637D+02 -0.143992D+01  0.107248D+02  0.254160D+02
      5  -0.310110D+02 -0.348700D+01  0.136911D+02 -0.941409D+01  0.404663D+01
      6  -0.526293D+00  0.601067D+01 -0.553349D+00  0.388179D+01  0.784531D+01
                96            97            98            99           100 
      1   0.245238D+01 -0.188617D+02  0.471651D+01  0.187045D+02  0.397832D+02
      2   0.105101D+02  0.319391D+01  0.741350D+00 -0.429796D+01 -0.258188D+02
      3  -0.129625D+02  0.156678D+02 -0.545786D+01 -0.144066D+02 -0.139643D+02
      4   0.156797D+01 -0.570971D+01  0.773252D+01 -0.177348D+02  0.233767D+01
      5  -0.171121D+02  0.162369D+02 -0.152554D+02  0.999585D+01  0.267201D+02
      6   0.268993D+01 -0.334362D+01  0.737963D+01 -0.114176D+02 -0.772675D-01
               101           102           103           104           105 
      1  -0.114795D+01  0.177486D+02 -0.113841D+02  0.321525D+01 -0.867720D+01
      2   0.152008D+01 -0.136500D+02  0.779717D+01 -0.273778D+01  0.639933D+01
      3  -0.372129D+00 -0.409865D+01  0.358689D+01 -0.477471D+00  0.227787D+01
      4   0.622249D+01 -0.187922D+01  0.835560D+01 -0.619060D+01  0.495346D+01
      5  -0.395314D+01  0.229053D+02 -0.116503D+02  0.647117D+01 -0.950213D+01
      6   0.994553D+00  0.140033D+01  0.249528D+01 -0.178807D+01  0.372923D+01
               106           107           108           109           110 
      1   0.283495D+02 -0.523602D+01  0.186178D+02  0.549783D+02  0.162452D+02
      2  -0.236846D+02  0.493129D+01 -0.219850D+02 -0.254528D+02 -0.507917D+01
      3  -0.466495D+01  0.304728D+00  0.336722D+01 -0.295255D+02 -0.111660D+02
      4  -0.206390D+01  0.766464D+01  0.135505D+00  0.294331D+02  0.164091D+02
      5   0.357726D+02 -0.280852D+01  0.370967D+02 -0.179540D+02 -0.810642D+01
      6   0.147547D+01  0.379357D+01  0.197965D+01 -0.689321D+01 -0.336882D+01
               111           112           113           114           115 
      1  -0.143491D+02  0.179275D+02  0.687494D+01 -0.769569D+01 -0.322359D+02
      2   0.610938D+01 -0.456826D+01  0.259271D+01  0.272277D+01  0.151089D+02
      3   0.823972D+01 -0.133592D+02 -0.946765D+01  0.497292D+01  0.171270D+02
      4  -0.106566D+02  0.216835D+02  0.170489D+02 -0.941831D+01 -0.216814D+02
      5   0.165710D+02 -0.984344D+01 -0.764307D+01  0.614106D+01  0.268378D+02
      6   0.383786D+01 -0.516568D+01 -0.314967D+01  0.487969D+01  0.818162D+01
               116           117           118           119           120 
      1  -0.118072D+02  0.165819D+02  0.151572D+01 -0.448156D+00  0.192992D+01
      2   0.413089D+01 -0.108475D+02 -0.377109D+01  0.104118D+00  0.667150D-02
      3   0.767635D+01 -0.573437D+01  0.225537D+01  0.344039D+00 -0.193659D+01
      4  -0.165130D+02  0.114212D+02 -0.167400D+01  0.273272D+01 -0.261110D+00
      5   0.857419D+01 -0.197086D+02  0.123516D+01 -0.103233D+01  0.646362D+01
      6   0.572991D+01 -0.736270D+01 -0.149451D+01  0.106077D+00  0.236414D+00
               121           122           123           124           125 
      1   0.210906D+01 -0.723586D+01  0.712672D+01 -0.186196D+00  0.436598D+01
      2  -0.817149D-01  0.210420D+01  0.179001D+00 -0.566660D+00  0.311747D+01
      3  -0.202734D+01  0.513166D+01 -0.730572D+01  0.752855D+00 -0.748345D+01
      4   0.268013D+01 -0.260597D+01  0.254162D+01 -0.350123D+00  0.480203D+01
      5  -0.139364D+01  0.209798D+01 -0.509366D+01  0.535909D+01 -0.311513D+01
      6   0.173997D+00 -0.537677D+01  0.744662D+01 -0.533849D+00  0.586859D+01
               126           127           128           129           130 
      1  -0.195357D+02 -0.329315D+00  0.785787D+01 -0.304179D+01  0.609834D+01
      2  -0.105759D+02  0.229593D+01 -0.110047D+02  0.362363D+01 -0.620516D+01
      3   0.301115D+02 -0.196661D+01  0.314687D+01 -0.581838D+00  0.106823D+00
      4  -0.409035D+01 -0.172676D+01  0.163923D+01 -0.183366D+01  0.416110D+01
      5   0.105985D+02 -0.124594D+01  0.382900D+00 -0.261894D+00  0.781959D+00
      6  -0.601021D+01 -0.436286D+01  0.122746D+01 -0.233327D+01  0.310797D+00
               131           132           133           134           135 
      1  -0.235836D+02  0.629470D+01 -0.687699D+01  0.135942D+02 -0.117199D+02
      2   0.360989D+02 -0.114935D+02  0.467304D+01 -0.220451D+02  0.129359D+02
      3  -0.125153D+02  0.519884D+01  0.220396D+01  0.845089D+01 -0.121599D+01
      4   0.118814D+02 -0.328798D+01 -0.398804D+01 -0.778086D+01  0.464593D+01
      5  -0.545592D+01  0.543598D+01 -0.309039D+00  0.706557D+01 -0.614939D+01
      6  -0.636243D+01  0.996304D+01 -0.272799D+00  0.118854D+02 -0.788322D+01
               136           137           138           139           140 
      1   0.643627D+01  0.489638D+01  0.335363D+01  0.360289D+01 -0.207033D+02
      2  -0.592538D+01 -0.361732D+01 -0.118476D+01 -0.248185D+01  0.198744D+02
      3  -0.510883D+00 -0.127907D+01 -0.216887D+01 -0.112103D+01  0.828852D+00
      4   0.495226D+01  0.549698D+01  0.497367D+01  0.725033D+01  0.153740D+02
      5   0.287012D+01  0.384724D+01  0.627505D+01  0.352031D+01  0.105189D+02
      6   0.286910D+01 -0.239460D-01  0.892417D-01  0.307556D+01  0.231945D+02
               141           142           143           144           145 
      1  -0.133711D+02 -0.290201D+01 -0.241372D+02 -0.291339D+02 -0.239614D+01
      2   0.883216D+01  0.239644D+01  0.135107D+02  0.682397D+01 -0.555000D+00
      3   0.453894D+01  0.505561D+00  0.106264D+02  0.223100D+02  0.295114D+01
      4   0.104306D+02  0.103583D+02  0.171935D+02  0.163581D+02  0.107601D+01
      5   0.103444D+02  0.108494D+02  0.185750D+02  0.228545D+02 -0.213353D+01
      6   0.218205D+02  0.829680D+01  0.331025D+02  0.368064D+02 -0.177043D+01
               146           147           148           149           150 
      1   0.257239D+01 -0.559283D+01  0.366512D+01 -0.133889D+02  0.100199D+02
      2  -0.111163D+00  0.142515D+01 -0.163458D+01  0.477775D+01  0.349705D+01
      3  -0.246123D+01  0.416768D+01 -0.203054D+01  0.861117D+01 -0.135170D+02
      4  -0.490257D-01  0.732332D+00  0.787989D-01  0.187373D+02 -0.857737D+01
      5  -0.830275D+00  0.380089D+01 -0.336057D+01 -0.577345D+01  0.847616D+01
      6   0.434799D+01 -0.209512D+01  0.278694D+01 -0.222863D+02  0.131077D+02
               151           152           153           154           155 
      1  -0.279734D+01  0.668372D+01 -0.702533D+01  0.242257D+02 -0.441381D+01
      2   0.137595D+01  0.120148D+01 -0.263877D+01 -0.234684D+02  0.353676D+01
      3   0.142139D+01 -0.788520D+01  0.966410D+01 -0.757331D+00  0.877047D+00
      4   0.403277D+00 -0.483956D+01  0.425633D+01 -0.128577D+02  0.948541D+01
      5   0.453745D+01  0.284996D+01 -0.353801D+01 -0.412800D+02  0.982752D+01
      6  -0.177985D+01  0.113902D+02 -0.762092D+01  0.891558D+01 -0.664422D+01
               156           157           158           159           160 
      1  -0.902799D+01 -0.468080D+01  0.740180D-01 -0.664786D+00 -0.692248D+01
      2   0.192084D+02  0.394770D+01 -0.177491D+01 -0.347611D+01  0.149077D+02
      3  -0.101804D+02  0.733100D+00  0.170090D+01  0.414090D+01 -0.798524D+01
      4   0.799546D+01  0.888644D+01 -0.575601D+01 -0.811938D+01  0.557033D+01
      5   0.361119D+02  0.106925D+02 -0.891558D+01 -0.101698D+02  0.266066D+02
      6  -0.691274D+01 -0.593631D+01  0.467132D+01  0.881760D+01 -0.501968D+01
               161           162           163           164           165 
      1  -0.456630D+00  0.108175D+01 -0.108256D+02 -0.104891D+02 -0.149984D+02
      2  -0.214837D+01 -0.159269D+02  0.225590D+01  0.522449D+01  0.755748D+00
      3   0.260500D+01  0.148451D+02  0.856971D+01  0.526460D+01  0.142427D+02
      4  -0.453704D+01 -0.654928D+01  0.192575D+00 -0.142200D+01 -0.301334D+00
      5  -0.674516D+01 -0.279410D+02  0.739163D+01  0.443359D+01  0.349132D+01
      6   0.636853D+01  0.704056D+01  0.842136D+01  0.988373D+01  0.717850D+01
               166           167           168           169           170 
      1  -0.977488D+01 -0.141970D+02 -0.105263D+02 -0.794218D+01 -0.581306D+01
      2   0.534275D+01  0.809426D+01  0.673846D+00  0.746108D+00 -0.240425D+00
      3   0.443213D+01  0.610276D+01  0.985244D+01  0.719607D+01  0.605348D+01
      4  -0.112689D+00 -0.178953D+01 -0.337379D+01 -0.184758D-01 -0.176775D+01
      5   0.638507D+01  0.886612D+00 -0.201703D+01  0.646561D+01  0.251394D+00
      6   0.692755D+01  0.106138D+02  0.110351D+02  0.410864D+01  0.755734D+01
               171           172           173           174           175 
      1  -0.936773D+01  0.496736D+01 -0.513816D+01  0.372226D+01 -0.771734D+00
      2  -0.210029D+01 -0.170633D+01  0.270349D+01 -0.285444D+01 -0.387112D-01
      3   0.114680D+02 -0.326103D+01  0.243467D+01 -0.867823D+00  0.810445D+00
      4  -0.145375D+01 -0.899392D+01  0.613678D+01 -0.403208D+01  0.414222D+01
      5   0.541588D+00  0.655526D+01 -0.242285D+01  0.109879D+02 -0.883831D+00
      6   0.663323D+01 -0.301865D+01  0.162634D+01 -0.523288D+01  0.189167D+01
               176           177           178           179           180 
      1  -0.359366D+01  0.326856D+01  0.463144D+01  0.483694D+01 -0.517733D+01
      2   0.314995D+01 -0.411396D+01 -0.378641D+01 -0.636509D+01 -0.742716D+01
      3   0.443713D+00  0.845391D+00 -0.845025D+00  0.152815D+01  0.126045D+02
      4  -0.256184D+01  0.527738D+01 -0.906395D+01  0.124417D+02 -0.150212D+02
      5   0.483045D+01 -0.339714D+01  0.161577D+02 -0.117906D+02  0.391879D+02
      6  -0.463863D+01  0.869204D+01 -0.946414D+01  0.132947D+02 -0.305819D+02
               181           182           183           184           185 
      1  -0.142172D+02 -0.253591D+02 -0.561457D+01 -0.153136D+02 -0.275633D+02
      2   0.151809D+02  0.298261D+02  0.434855D+01  0.153162D+02  0.372128D+02
      3  -0.963698D+00 -0.446700D+01  0.126603D+01 -0.263499D-02 -0.964955D+01
      4   0.451653D+01 -0.134553D+01  0.244924D+01  0.559735D+01 -0.770929D+01
      5  -0.303734D+01 -0.816985D+00 -0.126522D+01 -0.118841D+01 -0.309038D+01
      6   0.329873D+01  0.159169D+01  0.520398D+01  0.978179D+00  0.350658D+01
               186           187           188           189           190 
      1  -0.462715D+01 -0.590638D+01 -0.608353D+01 -0.568084D+01  0.447542D+02
      2   0.589392D+01  0.311533D+01  0.874471D+01  0.487909D+01 -0.109373D+02
      3  -0.126677D+01  0.279105D+01 -0.266118D+01  0.801754D+00 -0.338169D+02
      4  -0.132845D+01  0.362152D+01 -0.444233D+01 -0.236128D+01 -0.503122D+02
      5  -0.309885D+01  0.147958D+01 -0.351235D+01  0.105898D+01 -0.152276D+02
      6   0.630899D+01  0.171449D+01  0.759151D+01  0.164797D+01  0.972158D+01
               191           192           193           194           195 
      1  -0.166035D+02 -0.121135D+02 -0.122848D+02  0.366621D+01  0.116535D+01
      2  -0.184557D+01  0.414024D+01 -0.110927D+01  0.856817D+01  0.328378D+01
      3   0.184491D+02  0.797331D+01  0.133941D+02 -0.122344D+02 -0.444913D+01
      4   0.326896D+02  0.132622D+02  0.234616D+02 -0.201719D+02 -0.810689D+01
      5   0.640967D+01  0.136002D+02  0.529451D+01 -0.557916D+01 -0.422667D+01
      6  -0.535517D+01 -0.921146D+01 -0.372469D+01  0.551766D+01  0.529119D+01
               196           197           198           199           200 
      1  -0.159997D+02  0.326126D+01  0.709528D+01 -0.901658D+00 -0.202406D+01
      2   0.365174D+01  0.540133D+01 -0.302430D+01  0.174202D+01  0.179451D+01
      3   0.123480D+02 -0.866259D+01 -0.407098D+01 -0.840363D+00  0.229551D+00
      4   0.225221D+02 -0.179015D+02 -0.139041D+02 -0.171572D+01  0.207125D+01
      5   0.156045D+02 -0.912844D+01 -0.995202D+01  0.289815D+01 -0.148904D+01
      6  -0.109441D+02  0.791436D+01  0.654513D+01  0.208201D-01  0.353057D+00
               201           202           203           204           205 
      1   0.168344D+01 -0.210396D+01 -0.234931D+01  0.574118D+01  0.316091D+01
      2  -0.131297D+01 -0.197709D+01  0.303290D+01 -0.334233D+01 -0.304917D+01
      3  -0.370473D+00  0.408105D+01 -0.683586D+00 -0.239885D+01 -0.111738D+00
      4  -0.216419D+01  0.163120D+01 -0.207959D+01  0.314663D+01 -0.216265D+01
      5   0.415199D+01 -0.102056D+01  0.139850D+01 -0.224501D+01  0.343238D+01
      6  -0.334212D+00  0.264984D-01 -0.435423D+01  0.349940D+01 -0.728077D+00
               206           207           208           209           210 
      1   0.623627D+01 -0.651440D+01 -0.465731D+00  0.138665D+01 -0.245648D+01
      2  -0.514379D+01  0.164825D+01 -0.121105D+01 -0.672221D+00  0.475299D+00
      3  -0.109248D+01  0.486616D+01  0.167678D+01 -0.714426D+00  0.198118D+01
      4   0.357437D+01 -0.444059D+01  0.162870D+01  0.270167D+01 -0.255590D+01
      5  -0.362729D+01  0.541996D+01 -0.234834D+01 -0.282572D+01  0.592728D+01
      6   0.414583D+01 -0.644482D+01 -0.253031D+01 -0.817340D-02  0.471979D+00
               211           212           213           214           215 
      1   0.309096D+01 -0.945580D+01  0.108991D+02 -0.321997D+01  0.103214D+02
      2  -0.387112D+01  0.400739D+01 -0.108386D+01  0.176671D+01 -0.240083D+01
      3   0.780153D+00  0.544840D+01 -0.981527D+01  0.145326D+01 -0.792058D+01
      4   0.292802D+00  0.562538D+01 -0.591231D+01 -0.284913D+01 -0.551247D+01
      5  -0.349705D+01 -0.715373D+01  0.102238D+02  0.335722D+01  0.842770D+01
      6  -0.222616D+00 -0.799172D+01  0.848476D+01  0.166105D+01  0.920668D+01
               216           217           218           219           220 
      1  -0.222364D+02  0.402181D+01 -0.912455D+01  0.462721D+01 -0.111433D+02
      2  -0.312658D+01 -0.746635D-02  0.791308D+01 -0.101408D+01  0.450529D+01
      3   0.253630D+02 -0.401434D+01  0.121148D+01 -0.361313D+01  0.663801D+01
      4   0.726683D+01 -0.300963D+01 -0.361016D+01  0.142173D+01  0.891887D+01
      5  -0.194147D+02  0.515165D+00 -0.111391D+00 -0.397479D+01 -0.742733D+01
      6  -0.118717D+02 -0.126495D+01 -0.323745D+01  0.166514D+01  0.217791D+01
               221           222           223           224           225 
      1  -0.214335D+02  0.172681D+01  0.294653D+01  0.848303D+00 -0.603252D+01
      2   0.344195D+02 -0.113808D+01 -0.188142D+01  0.262084D+01  0.235814D+01
      3  -0.129860D+02 -0.588721D+00 -0.106512D+01 -0.346914D+01  0.367438D+01
      4  -0.486153D+02  0.686119D+01  0.251200D+01 -0.348507D+01 -0.282693D+01
      5   0.431388D+01 -0.103585D+02  0.679393D+00 -0.301458D+01  0.145189D+01
      6  -0.169472D+02  0.765812D+01  0.152618D+00  0.497076D+01 -0.704085D+00
               226           227           228           229           230 
      1  -0.447203D+01  0.404657D+01  0.174054D+02  0.530800D+01 -0.925340D+01
      2  -0.181813D+01 -0.586036D-01  0.118149D+01 -0.259131D+01  0.362549D+01
      3   0.629015D+01 -0.398797D+01 -0.185869D+02 -0.271669D+01  0.562791D+01
      4   0.420417D+01 -0.565255D+01 -0.952889D+00 -0.864415D+00  0.157237D+01
      5   0.945529D+00  0.734424D+00 -0.102231D+02  0.264551D+01  0.487622D+01
      6   0.141572D+01 -0.344758D+01 -0.663190D+00 -0.119700D+01  0.294552D+01
               231           232           233           234           235 
      1  -0.748639D+01  0.178553D+02 -0.545015D+01 -0.254199D+02  0.883039D+02
      2  -0.425571D+01 -0.628403D+01 -0.157727D+01 -0.105233D+02 -0.491283D+02
      3   0.117421D+02 -0.115712D+02  0.702742D+01  0.359431D+02 -0.391755D+02
      4   0.651765D+01 -0.444122D+01  0.758464D+01  0.606606D+01 -0.139489D+02
      5   0.119886D+02  0.295423D+01  0.424474D+01  0.281345D+02  0.439909D+02
      6   0.701024D+01 -0.123596D+01  0.540613D+01  0.223425D+01 -0.128742D+01
               236           237           238           239           240 
      1  -0.376127D+01  0.228544D+02  0.526160D+01  0.643060D+01  0.176171D+01
      2   0.693627D+00 -0.162120D+02 -0.379149D+01 -0.174312D+01 -0.228310D+01
      3   0.306765D+01 -0.664246D+01 -0.147012D+01 -0.468748D+01  0.521393D+00
      4   0.124014D+02 -0.357577D+01  0.108646D+02 -0.289212D+01  0.376103D+01
      5  -0.175872D+01  0.239613D+02  0.359011D+01  0.472150D+01  0.365424D+01
      6   0.373980D+01 -0.165762D+01  0.380856D+01 -0.727397D+00  0.236709D+01
               241           242           243 
      1   0.118570D+02 -0.142164D+00  0.869928D+01
      2  -0.102032D+02 -0.427304D+00 -0.931942D+01
      3  -0.165383D+01  0.569468D+00  0.620140D+00
      4  -0.124820D+01  0.171360D+01 -0.226762D+00
      5   0.178536D+02  0.507249D+00  0.128013D+02
      6  -0.198673D+01  0.182254D+01 -0.535170D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163817D+01      0.416382D+01      0.138890D+02
   x         -0.142079D+01     -0.361129D+01     -0.120460D+02
   y         -0.559810D+00     -0.142290D+01     -0.474627D+01
   z          0.592931D+00      0.150708D+01      0.502708D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124675D+03      0.184750D+02      0.205562D+02
   aniso      0.564984D+02      0.837220D+01      0.931533D+01
   xx         0.160911D+03      0.238446D+02      0.265307D+02
   yx         0.713297D+01      0.105700D+01      0.117607D+01
   yy         0.105896D+03      0.156922D+02      0.174600D+02
   zx        -0.302959D+01     -0.448939D+00     -0.499512D+00
   zy        -0.433052D+01     -0.641716D+00     -0.714006D+00
   zz         0.107218D+03      0.158881D+02      0.176779D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.136353D+03      0.202054D+02      0.224816D+02
   aniso      0.673833D+02      0.998517D+01      0.111100D+02
   xx         0.179637D+03      0.266194D+02      0.296181D+02
   yx         0.852422D+01      0.126316D+01      0.140545D+01
   yy         0.114220D+03      0.169257D+02      0.188323D+02
   zx        -0.366491D+01     -0.543083D+00     -0.604262D+00
   zy        -0.469657D+01     -0.695960D+00     -0.774360D+00
   zz         0.115202D+03      0.170712D+02      0.189942D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.18569029          2.26617479          3.86341438
     6         -1.52478087          1.59859844          3.15051310
     6         -1.70558151         -0.57666835          1.11415937
     6          0.38071603         -0.92563591         -0.71285071
     6          0.14955821         -0.75020823         -3.22088673
     6          2.22498990         -1.06106902         -5.05935212
     8          1.80303493         -0.84461916         -7.30959806
     6         -3.02243252          3.96209596          2.51982184
     6         -2.72578551         -0.26616487          5.07796658
     6         -2.01488489         -2.48410643          3.32041013
     6          4.86277604         -1.64476468         -4.11112344
     1         -4.76685194         -0.01211955          5.21203914
     1         -1.93490783         -0.26780779          6.98037607
     1         -3.49093476         -0.37252728          0.10074277
     1         -0.21510625         -3.34407215          3.83834488
     1         -3.39927397         -3.98214511          3.04978770
     1          2.29468081          0.59672405          4.35131083
     1          1.19161723          3.51705057          5.50527855
     1          2.14671852          3.24160540          2.31904974
     1         -4.97617711          3.50182413          2.04331605
     1         -2.18976920          4.95447003          0.91073270
     1         -3.04816671          5.26681751          4.12150466
     1          2.22352179         -1.33801290          0.08955930
     1         -1.67030631         -0.34625291         -4.07562234
     1          4.88478415         -3.40901752         -3.04108840
     1          5.53920061         -0.15172936         -2.85746655
     1          6.12509274         -1.80735402         -5.72352153

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163817D+01      0.416382D+01      0.138890D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.163817D+01      0.416382D+01      0.138890D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124675D+03      0.184750D+02      0.205562D+02
   aniso      0.564984D+02      0.837220D+01      0.931533D+01
   xx         0.115809D+03      0.171612D+02      0.190944D+02
   yx        -0.471416D+01     -0.698566D+00     -0.777259D+00
   yy         0.103563D+03      0.153464D+02      0.170752D+02
   zx        -0.172788D+02     -0.256045D+01     -0.284888D+01
   zy         0.563065D+01      0.834377D+00      0.928369D+00
   zz         0.154654D+03      0.229174D+02      0.254990D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.136353D+03      0.202054D+02      0.224816D+02
   aniso      0.673833D+02      0.998517D+01      0.111100D+02
   xx         0.125336D+03      0.185728D+02      0.206651D+02
   yx        -0.543331D+01     -0.805133D+00     -0.895832D+00
   yy         0.111651D+03      0.165450D+02      0.184088D+02
   zx        -0.208623D+02     -0.309148D+01     -0.343973D+01
   zy         0.671208D+01      0.994628D+00      0.110667D+01
   zz         0.172072D+03      0.254984D+02      0.283708D+02

 ----------------------------------------------------------------------
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 00000124\\\@


 WE HAVE LEFT UNDONE THOSE THINGS WHICH WE OUGHT TO HAVE DONE,
 AND WE HAVE DONE THOSE THINGS WHICH WE OUGHT NOT TO HAVE DONE.
                   BOOK OF COMMON PRAYER                      
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